carbonic acid;4-methylcyclohexan-1-ol

C8H16O4 — CID 70260137

IUPACcarbonic acid;4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1.O=C(O)O
InChIInChI=1S/C7H14O.CH2O3/c1-6-2-4-7(8)5-3-6;2-1(3)4/h6-8H,2-5H2,1H3;(H2,2,3,4)
InChIKeyCESXUFXFDONBOM-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.78
Rot. Bonds

About carbonic acid;4-methylcyclohexan-1-ol

carbonic acid;4-methylcyclohexan-1-ol (PubChem CID 70260137) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is carbonic acid;4-methylcyclohexan-1-ol.

Molecular Properties

Compound Namecarbonic acid;4-methylcyclohexan-1-ol
PubChem CID70260137
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namecarbonic acid;4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1.O=C(O)O
InChIInChI=1S/C7H14O.CH2O3/c1-6-2-4-7(8)5-3-6;2-1(3)4/h6-8H,2-5H2,1H3;(H2,2,3,4)
InChIKeyCESXUFXFDONBOM-UHFFFAOYSA-N
XLogP1.78
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;4-methylcyclohexan-1-ol?
The IUPAC name of carbonic acid;4-methylcyclohexan-1-ol (CID 70260137) is carbonic acid;4-methylcyclohexan-1-ol.
What is the SMILES notation for carbonic acid;4-methylcyclohexan-1-ol?
The canonical SMILES for carbonic acid;4-methylcyclohexan-1-ol is CC1CCC(O)CC1.O=C(O)O.
What is the InChIKey of carbonic acid;4-methylcyclohexan-1-ol?
The InChIKey is CESXUFXFDONBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.CH2O3/c1-6-2-4-7(8)5-3-6;2-1(3)4/h6-8H,2-5H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;4-methylcyclohexan-1-ol?
carbonic acid;4-methylcyclohexan-1-ol has a molecular weight of 176.21 g/mol, XLogP of 1.78, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4-methylcyclohexan-1-ol is sourced from PubChem (CID 70260137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).