(1-methoxy-4,4-dimethylcyclohexyl)methanol

C10H20O2 — CID 130591114

IUPAC(1-methoxy-4,4-dimethylcyclohexyl)methanol
SMILESCOC1(CO)CCC(C)(C)CC1
InChIInChI=1S/C10H20O2/c1-9(2)4-6-10(8-11,12-3)7-5-9/h11H,4-8H2,1-3H3
InChIKeyRMSUPPPPALQTHW-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds2

About (1-methoxy-4,4-dimethylcyclohexyl)methanol

(1-methoxy-4,4-dimethylcyclohexyl)methanol (PubChem CID 130591114) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1-methoxy-4,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-methoxy-4,4-dimethylcyclohexyl)methanol
PubChem CID130591114
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(1-methoxy-4,4-dimethylcyclohexyl)methanol
SMILESCOC1(CO)CCC(C)(C)CC1
InChIInChI=1S/C10H20O2/c1-9(2)4-6-10(8-11,12-3)7-5-9/h11H,4-8H2,1-3H3
InChIKeyRMSUPPPPALQTHW-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)methanol?
The IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)methanol (CID 130591114) is (1-methoxy-4,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (1-methoxy-4,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (1-methoxy-4,4-dimethylcyclohexyl)methanol is COC1(CO)CCC(C)(C)CC1.
What is the InChIKey of (1-methoxy-4,4-dimethylcyclohexyl)methanol?
The InChIKey is RMSUPPPPALQTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)4-6-10(8-11,12-3)7-5-9/h11H,4-8H2,1-3H3.
What are the key properties of (1-methoxy-4,4-dimethylcyclohexyl)methanol?
(1-methoxy-4,4-dimethylcyclohexyl)methanol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 130591114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).