1-oct-3-yn-2-ylcyclohexan-1-ol

C14H24O — CID 11805930

IUPAC1-oct-3-yn-2-ylcyclohexan-1-ol
SMILESCCCCC#CC(C)C1(O)CCCCC1
InChIInChI=1S/C14H24O/c1-3-4-5-7-10-13(2)14(15)11-8-6-9-12-14/h13,15H,3-6,8-9,11-12H2,1-2H3
InChIKeyPBSAGHXBMPAGPQ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.51
Rot. Bonds3

About 1-oct-3-yn-2-ylcyclohexan-1-ol

1-oct-3-yn-2-ylcyclohexan-1-ol (PubChem CID 11805930) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-oct-3-yn-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-oct-3-yn-2-ylcyclohexan-1-ol
PubChem CID11805930
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-oct-3-yn-2-ylcyclohexan-1-ol
SMILESCCCCC#CC(C)C1(O)CCCCC1
InChIInChI=1S/C14H24O/c1-3-4-5-7-10-13(2)14(15)11-8-6-9-12-14/h13,15H,3-6,8-9,11-12H2,1-2H3
InChIKeyPBSAGHXBMPAGPQ-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(dimethylamino)oct-2-ynyl]cyclohexan-1-ol
CID 71383106
1-non-4-ynylcyclobutan-1-ol
CID 135040055
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
gold;1-tetradeca-1,3-diynylcyclohexan-1-ol
CID 87675243
1-hex-1-ynyl-1-methoxycyclohexane
CID 10352756
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
(1S,2S,15S)-2-hex-1-ynylbicyclo[13.1.0]hexadecan-2-ol
CID 10567598
1-(butylsulfanylmethyl)cyclohexan-1-ol
CID 65213802
(2S)-heptadec-3-yn-2-ol
CID 58473313
(2R)-dec-3-yn-2-ol
CID 129384454
trimethyl-[(2R)-oct-3-yn-2-yl]stannane
CID 15532108

Frequently Asked Questions

What is the IUPAC name of 1-oct-3-yn-2-ylcyclohexan-1-ol?
The IUPAC name of 1-oct-3-yn-2-ylcyclohexan-1-ol (CID 11805930) is 1-oct-3-yn-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-oct-3-yn-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-oct-3-yn-2-ylcyclohexan-1-ol is CCCCC#CC(C)C1(O)CCCCC1.
What is the InChIKey of 1-oct-3-yn-2-ylcyclohexan-1-ol?
The InChIKey is PBSAGHXBMPAGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-4-5-7-10-13(2)14(15)11-8-6-9-12-14/h13,15H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of 1-oct-3-yn-2-ylcyclohexan-1-ol?
1-oct-3-yn-2-ylcyclohexan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-3-yn-2-ylcyclohexan-1-ol is sourced from PubChem (CID 11805930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).