2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol

C14H24O — CID 104810061

IUPAC2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol
SMILESCC#CCCC1CC(C(C)C)CCC1O
InChIInChI=1S/C14H24O/c1-4-5-6-7-13-10-12(11(2)3)8-9-14(13)15/h11-15H,6-10H2,1-3H3
InChIKeyGSMMLHLAECJTCI-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.22
Rot. Bonds3

About 2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol

2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol (PubChem CID 104810061) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol
PubChem CID104810061
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol
SMILESCC#CCCC1CC(C(C)C)CCC1O
InChIInChI=1S/C14H24O/c1-4-5-6-7-13-10-12(11(2)3)8-9-14(13)15/h11-15H,6-10H2,1-3H3
InChIKeyGSMMLHLAECJTCI-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol
CID 80694968
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 63459622
2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol
CID 83161089
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 79422840
2-pent-3-ynylcyclohexan-1-ol
CID 104810024
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423024
2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol
CID 104649029
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol
CID 106455962
2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79422608
2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 55194345
3-pent-3-ynyloxan-4-ol
CID 106471270

Frequently Asked Questions

What is the IUPAC name of 2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol (CID 104810061) is 2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol is CC#CCCC1CC(C(C)C)CCC1O.
What is the InChIKey of 2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is GSMMLHLAECJTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-5-6-7-13-10-12(11(2)3)8-9-14(13)15/h11-15H,6-10H2,1-3H3.
What are the key properties of 2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol?
2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 104810061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).