1-(1,1,1-trimethoxynonan-2-yl)cyclohexene

C18H34O3 — CID 150382161

IUPAC1-(1,1,1-trimethoxynonan-2-yl)cyclohexene
SMILESCCCCCCCC(C1=CCCCC1)C(OC)(OC)OC
InChIInChI=1S/C18H34O3/c1-5-6-7-8-12-15-17(16-13-10-9-11-14-16)18(19-2,20-3)21-4/h13,17H,5-12,14-15H2,1-4H3
InChIKeyGZYVLOMZDKLNOL-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.06
Rot. Bonds11

About 1-(1,1,1-trimethoxynonan-2-yl)cyclohexene

1-(1,1,1-trimethoxynonan-2-yl)cyclohexene (PubChem CID 150382161) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(1,1,1-trimethoxynonan-2-yl)cyclohexene.

Molecular Properties

Compound Name1-(1,1,1-trimethoxynonan-2-yl)cyclohexene
PubChem CID150382161
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name1-(1,1,1-trimethoxynonan-2-yl)cyclohexene
SMILESCCCCCCCC(C1=CCCCC1)C(OC)(OC)OC
InChIInChI=1S/C18H34O3/c1-5-6-7-8-12-15-17(16-13-10-9-11-14-16)18(19-2,20-3)21-4/h13,17H,5-12,14-15H2,1-4H3
InChIKeyGZYVLOMZDKLNOL-UHFFFAOYSA-N
XLogP5.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.06
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trimethoxynonan-2-yl)cyclohexene?
The IUPAC name of 1-(1,1,1-trimethoxynonan-2-yl)cyclohexene (CID 150382161) is 1-(1,1,1-trimethoxynonan-2-yl)cyclohexene.
What is the SMILES notation for 1-(1,1,1-trimethoxynonan-2-yl)cyclohexene?
The canonical SMILES for 1-(1,1,1-trimethoxynonan-2-yl)cyclohexene is CCCCCCCC(C1=CCCCC1)C(OC)(OC)OC.
What is the InChIKey of 1-(1,1,1-trimethoxynonan-2-yl)cyclohexene?
The InChIKey is GZYVLOMZDKLNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-5-6-7-8-12-15-17(16-13-10-9-11-14-16)18(19-2,20-3)21-4/h13,17H,5-12,14-15H2,1-4H3.
What are the key properties of 1-(1,1,1-trimethoxynonan-2-yl)cyclohexene?
1-(1,1,1-trimethoxynonan-2-yl)cyclohexene has a molecular weight of 298.47 g/mol, XLogP of 5.06, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trimethoxynonan-2-yl)cyclohexene is sourced from PubChem (CID 150382161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).