1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol

C14H26O2 — CID 100941644

IUPAC1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol
SMILESC=C(C(O)C1CCCCC1)C(O)C(C)(C)C
InChIInChI=1S/C14H26O2/c1-10(13(16)14(2,3)4)12(15)11-8-6-5-7-9-11/h11-13,15-16H,1,5-9H2,2-4H3
InChIKeyTVOHUZXPELIHOF-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.89
Rot. Bonds3

About 1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol

1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol (PubChem CID 100941644) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol.

Molecular Properties

Compound Name1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol
PubChem CID100941644
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol
SMILESC=C(C(O)C1CCCCC1)C(O)C(C)(C)C
InChIInChI=1S/C14H26O2/c1-10(13(16)14(2,3)4)12(15)11-8-6-5-7-9-11/h11-13,15-16H,1,5-9H2,2-4H3
InChIKeyTVOHUZXPELIHOF-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-cycloheptylpropane-1,2-diol
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(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane
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1-cyclohexyl-1-hydroxy-4-methylpent-4-en-2-one
CID 103457687
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
(1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol
CID 11435805
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
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CID 141350052

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol?
The IUPAC name of 1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol (CID 100941644) is 1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol.
What is the SMILES notation for 1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol?
The canonical SMILES for 1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol is C=C(C(O)C1CCCCC1)C(O)C(C)(C)C.
What is the InChIKey of 1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol?
The InChIKey is TVOHUZXPELIHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(13(16)14(2,3)4)12(15)11-8-6-5-7-9-11/h11-13,15-16H,1,5-9H2,2-4H3.
What are the key properties of 1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol?
1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol has a molecular weight of 226.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol is sourced from PubChem (CID 100941644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).