(3-methoxy-4-methylcyclohex-3-en-1-yl)methanol

C9H16O2 — CID 130125743

IUPAC(3-methoxy-4-methylcyclohex-3-en-1-yl)methanol
SMILESCOC1=C(C)CCC(CO)C1
InChIInChI=1S/C9H16O2/c1-7-3-4-8(6-10)5-9(7)11-2/h8,10H,3-6H2,1-2H3
InChIKeySMOFJUONFZYJLD-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds2

About (3-methoxy-4-methylcyclohex-3-en-1-yl)methanol

(3-methoxy-4-methylcyclohex-3-en-1-yl)methanol (PubChem CID 130125743) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3-methoxy-4-methylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(3-methoxy-4-methylcyclohex-3-en-1-yl)methanol
PubChem CID130125743
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3-methoxy-4-methylcyclohex-3-en-1-yl)methanol
SMILESCOC1=C(C)CCC(CO)C1
InChIInChI=1S/C9H16O2/c1-7-3-4-8(6-10)5-9(7)11-2/h8,10H,3-6H2,1-2H3
InChIKeySMOFJUONFZYJLD-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 (3-methoxy-4-methylcyclohex-3-en-1-yl)methanol?
The IUPAC name of (3-methoxy-4-methylcyclohex-3-en-1-yl)methanol (CID 130125743) is (3-methoxy-4-methylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (3-methoxy-4-methylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for (3-methoxy-4-methylcyclohex-3-en-1-yl)methanol is COC1=C(C)CCC(CO)C1.
What is the InChIKey of (3-methoxy-4-methylcyclohex-3-en-1-yl)methanol?
The InChIKey is SMOFJUONFZYJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-3-4-8(6-10)5-9(7)11-2/h8,10H,3-6H2,1-2H3.
What are the key properties of (3-methoxy-4-methylcyclohex-3-en-1-yl)methanol?
(3-methoxy-4-methylcyclohex-3-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 (3-methoxy-4-methylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 130125743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).