ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol

C11H18O — CID 142088877

IUPACethane;3-ethynyl-2-methylcyclohex-2-en-1-ol
SMILESC#CC1=C(C)C(O)CCC1.CC
InChIInChI=1S/C9H12O.C2H6/c1-3-8-5-4-6-9(10)7(8)2;1-2/h1,9-10H,4-6H2,2H3;1-2H3
InChIKeyRHDPNROKYAQNFD-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.51
Rot. Bonds

About ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol

ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol (PubChem CID 142088877) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Nameethane;3-ethynyl-2-methylcyclohex-2-en-1-ol
PubChem CID142088877
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nameethane;3-ethynyl-2-methylcyclohex-2-en-1-ol
SMILESC#CC1=C(C)C(O)CCC1.CC
InChIInChI=1S/C9H12O.C2H6/c1-3-8-5-4-6-9(10)7(8)2;1-2/h1,9-10H,4-6H2,2H3;1-2H3
InChIKeyRHDPNROKYAQNFD-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6,6-Trimethyl-1-[1-hydroxy-2-butynyl]-1-cyclohexene
CID 13952038
2-Cyclohexen-1-ol, 2,3-dimethyl-
CID 11137169
2-Ethyl-6-fluoro-3-methylcyclohex-2-en-1-ol
CID 89864936
1-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-yn-1-ol
CID 13952036
1-(2,6,6-Trimethylcyclohexen-1-yl)pent-2-yn-1-ol
CID 13952039
2-Hex-1-ynylcyclohex-2-en-1-ol
CID 44244880
1-(2-Methylcyclohexen-1-yl)ethanol
CID 130121956
1-(Cyclohexen-1-yl)but-3-yn-1-ol
CID 130122087
1-(Cyclopenten-1-yl)but-3-yn-1-ol
CID 130126633
1-(Cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol
CID 130129548
2-Hex-1-ynylcyclohept-2-en-1-ol
CID 130130140
(1S)-1-(2-methylcyclohexen-1-yl)ethanol
CID 130629638

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol?
The IUPAC name of ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol (CID 142088877) is ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol.
What is the SMILES notation for ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol?
The canonical SMILES for ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol is C#CC1=C(C)C(O)CCC1.CC.
What is the InChIKey of ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol?
The InChIKey is RHDPNROKYAQNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C2H6/c1-3-8-5-4-6-9(10)7(8)2;1-2/h1,9-10H,4-6H2,2H3;1-2H3.
What are the key properties of ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol?
ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethynyl-2-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 142088877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).