1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol

C17H28O — CID 71326425

IUPAC1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol
SMILESCCC(O)C=CC1(C)C=CCCC1CC=C(C)C
InChIInChI=1S/C17H28O/c1-5-16(18)11-13-17(4)12-7-6-8-15(17)10-9-14(2)3/h7,9,11-13,15-16,18H,5-6,8,10H2,1-4H3
InChIKeyLMAHLHQNMDVOLH-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.64
Rot. Bonds5

About 1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol

1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol (PubChem CID 71326425) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol.

Molecular Properties

Compound Name1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol
PubChem CID71326425
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol
SMILESCCC(O)C=CC1(C)C=CCCC1CC=C(C)C
InChIInChI=1S/C17H28O/c1-5-16(18)11-13-17(4)12-7-6-8-15(17)10-9-14(2)3/h7,9,11-13,15-16,18H,5-6,8,10H2,1-4H3
InChIKeyLMAHLHQNMDVOLH-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol with MolForge

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Launch Full Analysis

Related Compounds

alpha-IONOL
CID 5363817
2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol, (E)-
CID 6438196
Isophorol
CID 79016
Ebanol
CID 6437266
(2E)-2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol
CID 6438195
3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol
CID 53425103
4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 15984303
8-Hydroxy-alpha-humulene
CID 12445034
3-Buten-2-ol, 3-methyl-4-[2,6,6-trimethyl-2-cyclohexen-1-yl]-
CID 5370103
2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 119897
epsilon,gamma-Caroten-3-ol
CID 131751053
p-Menth-6-en-2-ol, (2S,4S)-(+)-
CID 534485

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol?
The IUPAC name of 1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol (CID 71326425) is 1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol.
What is the SMILES notation for 1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol?
The canonical SMILES for 1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol is CCC(O)C=CC1(C)C=CCCC1CC=C(C)C.
What is the InChIKey of 1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol?
The InChIKey is LMAHLHQNMDVOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-5-16(18)11-13-17(4)12-7-6-8-15(17)10-9-14(2)3/h7,9,11-13,15-16,18H,5-6,8,10H2,1-4H3.
What are the key properties of 1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol?
1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol has a molecular weight of 248.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-yl]pent-1-en-3-ol is sourced from PubChem (CID 71326425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).