1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol

C16H26O — CID 24771788

IUPAC1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol
SMILESCC1=CCC(C2=CCC(C(C)O)CC2)C1(C)C
InChIInChI=1S/C16H26O/c1-11-5-10-15(16(11,3)4)14-8-6-13(7-9-14)12(2)17/h5,8,12-13,15,17H,6-7,9-10H2,1-4H3
InChIKeySPPFYUIXLQODFZ-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.09
Rot. Bonds2

About 1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol

1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol (PubChem CID 24771788) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol
PubChem CID24771788
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol
SMILESCC1=CCC(C2=CCC(C(C)O)CC2)C1(C)C
InChIInChI=1S/C16H26O/c1-11-5-10-15(16(11,3)4)14-8-6-13(7-9-14)12(2)17/h5,8,12-13,15,17H,6-7,9-10H2,1-4H3
InChIKeySPPFYUIXLQODFZ-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

alpha-CAMPHOLENOL
CID 61284
Dehydrodihydroionol
CID 62126
p-MENTH-1-EN-9-OL
CID 86753
Dihydro-beta-ionol
CID 579336
beta-Nootkatol
CID 182645
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
CID 66963592
Isocyclogeraniol
CID 109458
Sandalore
CID 103212
Camelliol C
CID 6476390
2-Cyclohexen-1-ol, 2,6-dimethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 90092947
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-
CID 166220
Methylcyclohexenyl butanol
CID 85903

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol?
The IUPAC name of 1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol (CID 24771788) is 1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol.
What is the SMILES notation for 1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol?
The canonical SMILES for 1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol is CC1=CCC(C2=CCC(C(C)O)CC2)C1(C)C.
What is the InChIKey of 1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol?
The InChIKey is SPPFYUIXLQODFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-11-5-10-15(16(11,3)4)14-8-6-13(7-9-14)12(2)17/h5,8,12-13,15,17H,6-7,9-10H2,1-4H3.
What are the key properties of 1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol?
1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol has a molecular weight of 234.38 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]ethanol is sourced from PubChem (CID 24771788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).