(2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol

C11H18O — CID 123478528

IUPAC(2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol
SMILESC=C1C=CC(C)C(CO)C1(C)C
InChIInChI=1S/C11H18O/c1-8-5-6-9(2)11(3,4)10(8)7-12/h5-6,8,10,12H,2,7H2,1,3-4H3
InChIKeyYVMDMJAINIESNW-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.38
Rot. Bonds1

About (2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol

(2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol (PubChem CID 123478528) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol
PubChem CID123478528
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol
SMILESC=C1C=CC(C)C(CO)C1(C)C
InChIInChI=1S/C11H18O/c1-8-5-6-9(2)11(3,4)10(8)7-12/h5-6,8,10,12H,2,7H2,1,3-4H3
InChIKeyYVMDMJAINIESNW-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol?
The IUPAC name of (2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol (CID 123478528) is (2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol?
The canonical SMILES for (2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol is C=C1C=CC(C)C(CO)C1(C)C.
What is the InChIKey of (2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol?
The InChIKey is YVMDMJAINIESNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-5-6-9(2)11(3,4)10(8)7-12/h5-6,8,10,12H,2,7H2,1,3-4H3.
What are the key properties of (2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol?
(2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol has a molecular weight of 166.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,6-trimethyl-5-methylidenecyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 123478528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).