(2-ethyl-5-methylcyclohexyl)methanediol

C10H20O2 — CID 123561469

IUPAC(2-ethyl-5-methylcyclohexyl)methanediol
SMILESCCC1CCC(C)CC1C(O)O
InChIInChI=1S/C10H20O2/c1-3-8-5-4-7(2)6-9(8)10(11)12/h7-12H,3-6H2,1-2H3
InChIKeyLJNXBWGEZKNABW-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.76
Rot. Bonds2

About (2-ethyl-5-methylcyclohexyl)methanediol

(2-ethyl-5-methylcyclohexyl)methanediol (PubChem CID 123561469) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2-ethyl-5-methylcyclohexyl)methanediol.

Molecular Properties

Compound Name(2-ethyl-5-methylcyclohexyl)methanediol
PubChem CID123561469
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2-ethyl-5-methylcyclohexyl)methanediol
SMILESCCC1CCC(C)CC1C(O)O
InChIInChI=1S/C10H20O2/c1-3-8-5-4-7(2)6-9(8)10(11)12/h7-12H,3-6H2,1-2H3
InChIKeyLJNXBWGEZKNABW-UHFFFAOYSA-N
XLogP1.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
[(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol
CID 131124005
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
(2-ethylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65420824
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
[(1R,3S)-3-methylcyclopentyl]methanediol
CID 163440646
(2-octylcyclopropyl)methanediol
CID 165392128
1-(2,5-dimethylcyclohexyl)ethanol
CID 66438059
1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545806
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylcyclohexyl)methanediol?
The IUPAC name of (2-ethyl-5-methylcyclohexyl)methanediol (CID 123561469) is (2-ethyl-5-methylcyclohexyl)methanediol.
What is the SMILES notation for (2-ethyl-5-methylcyclohexyl)methanediol?
The canonical SMILES for (2-ethyl-5-methylcyclohexyl)methanediol is CCC1CCC(C)CC1C(O)O.
What is the InChIKey of (2-ethyl-5-methylcyclohexyl)methanediol?
The InChIKey is LJNXBWGEZKNABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-8-5-4-7(2)6-9(8)10(11)12/h7-12H,3-6H2,1-2H3.
What are the key properties of (2-ethyl-5-methylcyclohexyl)methanediol?
(2-ethyl-5-methylcyclohexyl)methanediol has a molecular weight of 172.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylcyclohexyl)methanediol is sourced from PubChem (CID 123561469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).