5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene

C24H44O3 — CID 150250657

IUPAC5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene
SMILESCCCCCCCCC(C1C=CC=C1)C(OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C24H44O3/c1-8-9-10-11-12-13-18-23(22-16-14-15-17-22)24(25-19(2)3,26-20(4)5)27-21(6)7/h14-17,19-23H,8-13,18H2,1-7H3
InChIKeyFZLWKTCABDFPEP-UHFFFAOYSA-N
MW380.61 g/mol
LogP7.02
Rot. Bonds15

About 5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene

5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene (PubChem CID 150250657) has the molecular formula C24H44O3 and a molecular weight of 380.61 g/mol. Its IUPAC name is 5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene
PubChem CID150250657
Molecular FormulaC24H44O3
Molecular Weight380.61 g/mol
Exact Mass380.33
IUPAC Name5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene
SMILESCCCCCCCCC(C1C=CC=C1)C(OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C24H44O3/c1-8-9-10-11-12-13-18-23(22-16-14-15-17-22)24(25-19(2)3,26-20(4)5)27-21(6)7/h14-17,19-23H,8-13,18H2,1-7H3
InChIKeyFZLWKTCABDFPEP-UHFFFAOYSA-N
XLogP7.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclopenta-2,4-dien-1-ylhexadecane-1-thiol
CID 154732372
1,1-dibutoxy-1,2-di(propan-2-yloxy)decane
CID 151291565
1,1,1-trifluoro-3-[tri(propan-2-yloxy)methyl]undecane
CID 151669303
1,1,1-tripropoxydecan-2-ylcyclopropane
CID 151363480
19-[(2-methylpropan-2-yl)oxy]heptatriacontane
CID 164814152
(1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane
CID 151507432
1-(2-methylprop-1-enoxy)-3-[tri(propan-2-yloxy)methyl]undecane
CID 152505877
7-[tri(propan-2-yloxy)methyl]pentadec-5-ene
CID 150643499
4-[tri(propan-2-yloxy)methyl]dodecanoic acid
CID 151455459
1-(1,1-dimethoxy-1-propan-2-yloxydecan-2-yl)-2,4,5-trifluorobenzene
CID 150331414
1,2,3-trifluoro-5-[2-[tri(propan-2-yloxy)methyl]decyl]benzene
CID 150622885
1,2,3,4,5-pentafluoro-6-[5-[tri(propan-2-yloxy)methyl]tridecyl]benzene
CID 150781064

Frequently Asked Questions

What is the IUPAC name of 5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene?
The IUPAC name of 5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene (CID 150250657) is 5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene.
What is the SMILES notation for 5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene?
The canonical SMILES for 5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene is CCCCCCCCC(C1C=CC=C1)C(OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene?
The InChIKey is FZLWKTCABDFPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O3/c1-8-9-10-11-12-13-18-23(22-16-14-15-17-22)24(25-19(2)3,26-20(4)5)27-21(6)7/h14-17,19-23H,8-13,18H2,1-7H3.
What are the key properties of 5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene?
5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene has a molecular weight of 380.61 g/mol, XLogP of 7.02, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene is sourced from PubChem (CID 150250657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).