(3R)-4-hexylcyclohexane-1,3-diol

C12H24O2 — CID 90224141

IUPAC(3R)-4-hexylcyclohexane-1,3-diol
SMILESCCCCCCC1CCC(O)C[C@H]1O
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h10-14H,2-9H2,1H3/t10?,11?,12-/m1/s1
InChIKeyFHLPOFIKBHKDDD-HTAVTVPLSA-N
MW200.32 g/mol
LogP2.48
Rot. Bonds5

About (3R)-4-hexylcyclohexane-1,3-diol

(3R)-4-hexylcyclohexane-1,3-diol (PubChem CID 90224141) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (3R)-4-hexylcyclohexane-1,3-diol.

Molecular Properties

Compound Name(3R)-4-hexylcyclohexane-1,3-diol
PubChem CID90224141
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(3R)-4-hexylcyclohexane-1,3-diol
SMILESCCCCCCC1CCC(O)C[C@H]1O
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h10-14H,2-9H2,1H3/t10?,11?,12-/m1/s1
InChIKeyFHLPOFIKBHKDDD-HTAVTVPLSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dibutylcyclohexan-1-ol
CID 71347162
3-tridecylcyclopentan-1-ol
CID 67606099
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 139846520
2-dodecyl-4-ethylcyclohexan-1-ol
CID 63461251
3-heptylcyclohexan-1-ol
CID 64515801
2-nonylcyclopentane-1,3-diol
CID 163304158

Frequently Asked Questions

What is the IUPAC name of (3R)-4-hexylcyclohexane-1,3-diol?
The IUPAC name of (3R)-4-hexylcyclohexane-1,3-diol (CID 90224141) is (3R)-4-hexylcyclohexane-1,3-diol.
What is the SMILES notation for (3R)-4-hexylcyclohexane-1,3-diol?
The canonical SMILES for (3R)-4-hexylcyclohexane-1,3-diol is CCCCCCC1CCC(O)C[C@H]1O.
What is the InChIKey of (3R)-4-hexylcyclohexane-1,3-diol?
The InChIKey is FHLPOFIKBHKDDD-HTAVTVPLSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h10-14H,2-9H2,1H3/t10?,11?,12-/m1/s1.
What are the key properties of (3R)-4-hexylcyclohexane-1,3-diol?
(3R)-4-hexylcyclohexane-1,3-diol has a molecular weight of 200.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-hexylcyclohexane-1,3-diol is sourced from PubChem (CID 90224141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).