methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one

C50H84O3 — CID 161261733

IUPACmethyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
SMILESCCC1CC1CC1CC1CC1CC1CC1CC1CC1CC1CC1CC1CCC(=O)OC.CCCCCC1CC1CC1CC1CCCCCCCC(C)=O
InChIInChI=1S/C29H46O2.C21H38O/c1-3-17-6-19(17)8-21-10-23(21)12-25-14-27(25)16-28-15-26(28)13-24-11-22(24)9-20-7-18(20)4-5-29(30)31-2;1-3-4-8-12-18-14-20(18)16-21-15-19(21)13-10-7-5-6-9-11-17(2)22/h17-28H,3-16H2,1-2H3;18-21H,3-16H2,1-2H3
InChIKeyVCQISDWNOGVNOO-UHFFFAOYSA-N
MW733.22 g/mol
LogP13.67
Rot. Bonds28

About methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one

methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one (PubChem CID 161261733) has the molecular formula C50H84O3 and a molecular weight of 733.22 g/mol. Its IUPAC name is methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one.

Molecular Properties

Compound Namemethyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
PubChem CID161261733
Molecular FormulaC50H84O3
Molecular Weight733.22 g/mol
Exact Mass732.64
IUPAC Namemethyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
SMILESCCC1CC1CC1CC1CC1CC1CC1CC1CC1CC1CC1CC1CCC(=O)OC.CCCCCC1CC1CC1CC1CCCCCCCC(C)=O
InChIInChI=1S/C29H46O2.C21H38O/c1-3-17-6-19(17)8-21-10-23(21)12-25-14-27(25)16-28-15-26(28)13-24-11-22(24)9-20-7-18(20)4-5-29(30)31-2;1-3-4-8-12-18-14-20(18)16-21-15-19(21)13-10-7-5-6-9-11-17(2)22/h17-28H,3-16H2,1-2H3;18-21H,3-16H2,1-2H3
InChIKeyVCQISDWNOGVNOO-UHFFFAOYSA-N
XLogP13.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.22
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one with MolForge

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Related Compounds

9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
CID 126705004
methyl 5-(2-undecylcyclopropyl)pentanoate
CID 534438
11-(2-hexylcyclopropyl)undecan-2-one
CID 20746928
methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate
CID 13203150
methyl 11-(2-propylcyclopropyl)undecanoate
CID 11414874
methyl octanoate;octan-2-one
CID 88642743
heptan-2-one;methyl hexanoate
CID 154942909
methyl 7-[2-(dimethylamino)-3-[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octoxy]propoxy]heptanoate
CID 71766122
methyl 8-(2-octylcyclopropyl)-8-oxooctanoate
CID 543365
2-(2-ethylcyclopropyl)ethyl hexanoate
CID 45095067
methyl 8-(2-oct-2-enylcyclopropyl)octanoate
CID 69201092
methyl 8-[2-[(Z)-oct-2-enyl]cyclopropyl]octanoate
CID 69201087

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one?
The IUPAC name of methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one (CID 161261733) is methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one.
What is the SMILES notation for methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one?
The canonical SMILES for methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one is CCC1CC1CC1CC1CC1CC1CC1CC1CC1CC1CC1CC1CCC(=O)OC.CCCCCC1CC1CC1CC1CCCCCCCC(C)=O.
What is the InChIKey of methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one?
The InChIKey is VCQISDWNOGVNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46O2.C21H38O/c1-3-17-6-19(17)8-21-10-23(21)12-25-14-27(25)16-28-15-26(28)13-24-11-22(24)9-20-7-18(20)4-5-29(30)31-2;1-3-4-8-12-18-14-20(18)16-21-15-19(21)13-10-7-5-6-9-11-17(2)22/h17-28H,3-16H2,1-2H3;18-21H,3-16H2,1-2H3.
What are the key properties of methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one?
methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one has a molecular weight of 733.22 g/mol, XLogP of 13.67, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one is sourced from PubChem (CID 161261733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).