1-cyclohexyl-3-methylidenebutane-1,4-diol

C11H20O2 — CID 10241499

IUPAC1-cyclohexyl-3-methylidenebutane-1,4-diol
SMILESC=C(CO)CC(O)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h10-13H,1-8H2
InChIKeyCOIZCMHHSXOSNZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds4

About 1-cyclohexyl-3-methylidenebutane-1,4-diol

1-cyclohexyl-3-methylidenebutane-1,4-diol (PubChem CID 10241499) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylidenebutane-1,4-diol.

Molecular Properties

Compound Name1-cyclohexyl-3-methylidenebutane-1,4-diol
PubChem CID10241499
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclohexyl-3-methylidenebutane-1,4-diol
SMILESC=C(CO)CC(O)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h10-13H,1-8H2
InChIKeyCOIZCMHHSXOSNZ-UHFFFAOYSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-methylidenebutane-1,4-diol 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-Methylidene-5-(prop-1-en-2-yl)cyclohexan-1-ol
CID 527427
Cyclohexanol, 2-methylene-5-(1-methylethenyl)-, (1S-cis)-
CID 12642439
cis-p-Mentha-1(7),8-dien-2-ol
CID 6429040
trans-1(7),8-p-Menthadien-2-ol
CID 6428442
beta,4-Bis(methylene)cyclohexaneethanol
CID 34627
7-Octene-1,6-diol, 3,7-dimethyl-
CID 90790
o-Mentha-1(7),8-dien-3-ol
CID 564552
FT-0671749
CID 11400874
(-)-5-Methyl-2-(1-methylethenyl)-5-hexene-1,4-diol
CID 21575640
1-Cyclohexyl-2-propen-1-ol
CID 138196
2-Methylidene-5-propan-2-ylcyclohexan-1-ol
CID 12642437
2,10-Dimethyl-6-methylene-1,4-dodecanediol
CID 131753009

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methylidenebutane-1,4-diol?
The IUPAC name of 1-cyclohexyl-3-methylidenebutane-1,4-diol (CID 10241499) is 1-cyclohexyl-3-methylidenebutane-1,4-diol.
What is the SMILES notation for 1-cyclohexyl-3-methylidenebutane-1,4-diol?
The canonical SMILES for 1-cyclohexyl-3-methylidenebutane-1,4-diol is C=C(CO)CC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-methylidenebutane-1,4-diol?
The InChIKey is COIZCMHHSXOSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h10-13H,1-8H2.
What are the key properties of 1-cyclohexyl-3-methylidenebutane-1,4-diol?
1-cyclohexyl-3-methylidenebutane-1,4-diol has a molecular weight of 184.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylidenebutane-1,4-diol is sourced from PubChem (CID 10241499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).