1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane

C25H44O2 — CID 143428416

IUPAC1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane
SMILESCC(CC1CC2CC2(C)C1(C)C)OCCCOCCC1CCC2(C)CC2C1
InChIInChI=1S/C25H44O2/c1-18(13-20-15-22-17-25(22,5)23(20,2)3)27-11-6-10-26-12-8-19-7-9-24(4)16-21(24)14-19/h18-22H,6-17H2,1-5H3
InChIKeyLNZXVWHTMHIAHF-UHFFFAOYSA-N
MW376.63 g/mol
LogP6.48
Rot. Bonds10

About 1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane

1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane (PubChem CID 143428416) has the molecular formula C25H44O2 and a molecular weight of 376.63 g/mol. Its IUPAC name is 1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane
PubChem CID143428416
Molecular FormulaC25H44O2
Molecular Weight376.63 g/mol
Exact Mass376.33
IUPAC Name1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane
SMILESCC(CC1CC2CC2(C)C1(C)C)OCCCOCCC1CCC2(C)CC2C1
InChIInChI=1S/C25H44O2/c1-18(13-20-15-22-17-25(22,5)23(20,2)3)27-11-6-10-26-12-8-19-7-9-24(4)16-21(24)14-19/h18-22H,6-17H2,1-5H3
InChIKeyLNZXVWHTMHIAHF-UHFFFAOYSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane with MolForge

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Related Compounds

acetaldehyde;4-(butoxymethyl)-1-methylbicyclo[4.1.0]heptane
CID 143295928
5-heptyl-1-methylbicyclo[5.1.0]octane
CID 143295924
4-(3-butoxyprop-1-en-2-yloxymethyl)-1-methylbicyclo[4.1.0]heptane
CID 143374513
1,7,7-trimethyl-2-(2-propoxyethyl)bicyclo[2.2.1]heptane
CID 91429053
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949
ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 144517387
2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol
CID 164818451
dimethyl 2-[2-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]ethyl]propanedioate
CID 164818449
1,7,7-trimethyl-2-[2-(1-propan-2-yloxyethoxy)ethyl]bicyclo[2.2.1]heptane
CID 59782970
[2-methyl-5-(6-methyl-3-bicyclo[4.1.0]heptanyl)-2-[(6-methyl-3-bicyclo[4.1.0]heptanyl)methoxymethyl]pentyl] 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 143374677
(1R,4S)-1,3,3-trimethyl-N-(3-propan-2-yloxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 113302687
[2-[2-(3-methoxypropoxy)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79580993

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane?
The IUPAC name of 1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane (CID 143428416) is 1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane.
What is the SMILES notation for 1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane?
The canonical SMILES for 1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane is CC(CC1CC2CC2(C)C1(C)C)OCCCOCCC1CCC2(C)CC2C1.
What is the InChIKey of 1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane?
The InChIKey is LNZXVWHTMHIAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O2/c1-18(13-20-15-22-17-25(22,5)23(20,2)3)27-11-6-10-26-12-8-19-7-9-24(4)16-21(24)14-19/h18-22H,6-17H2,1-5H3.
What are the key properties of 1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane?
1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane has a molecular weight of 376.63 g/mol, XLogP of 6.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane is sourced from PubChem (CID 143428416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).