(2-methoxy-1-methylcyclohex-2-en-1-yl)methanol

C9H16O2 — CID 130125222

IUPAC(2-methoxy-1-methylcyclohex-2-en-1-yl)methanol
SMILESCOC1=CCCCC1(C)CO
InChIInChI=1S/C9H16O2/c1-9(7-10)6-4-3-5-8(9)11-2/h5,10H,3-4,6-7H2,1-2H3
InChIKeyDCHZLPSONKIPFA-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds2

About (2-methoxy-1-methylcyclohex-2-en-1-yl)methanol

(2-methoxy-1-methylcyclohex-2-en-1-yl)methanol (PubChem CID 130125222) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2-methoxy-1-methylcyclohex-2-en-1-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-1-methylcyclohex-2-en-1-yl)methanol
PubChem CID130125222
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2-methoxy-1-methylcyclohex-2-en-1-yl)methanol
SMILESCOC1=CCCCC1(C)CO
InChIInChI=1S/C9H16O2/c1-9(7-10)6-4-3-5-8(9)11-2/h5,10H,3-4,6-7H2,1-2H3
InChIKeyDCHZLPSONKIPFA-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-1-methylcyclohex-2-en-1-yl)methanol?
The IUPAC name of (2-methoxy-1-methylcyclohex-2-en-1-yl)methanol (CID 130125222) is (2-methoxy-1-methylcyclohex-2-en-1-yl)methanol.
What is the SMILES notation for (2-methoxy-1-methylcyclohex-2-en-1-yl)methanol?
The canonical SMILES for (2-methoxy-1-methylcyclohex-2-en-1-yl)methanol is COC1=CCCCC1(C)CO.
What is the InChIKey of (2-methoxy-1-methylcyclohex-2-en-1-yl)methanol?
The InChIKey is DCHZLPSONKIPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(7-10)6-4-3-5-8(9)11-2/h5,10H,3-4,6-7H2,1-2H3.
What are the key properties of (2-methoxy-1-methylcyclohex-2-en-1-yl)methanol?
(2-methoxy-1-methylcyclohex-2-en-1-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1-methylcyclohex-2-en-1-yl)methanol is sourced from PubChem (CID 130125222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).