2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol

C15H26O — CID 101417782

IUPAC2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol
SMILESCC1C=CC(C(C)CCCC(C)(C)O)=CC1
InChIInChI=1S/C15H26O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3
InChIKeyOIONQSKIWCOEHS-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds5

About 2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol

2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol (PubChem CID 101417782) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol.

Molecular Properties

Compound Name2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol
PubChem CID101417782
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol
SMILESCC1C=CC(C(C)CCCC(C)(C)O)=CC1
InChIInChI=1S/C15H26O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3
InChIKeyOIONQSKIWCOEHS-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol?
The IUPAC name of 2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol (CID 101417782) is 2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol.
What is the SMILES notation for 2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol?
The canonical SMILES for 2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol is CC1C=CC(C(C)CCCC(C)(C)O)=CC1.
What is the InChIKey of 2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol?
The InChIKey is OIONQSKIWCOEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3.
What are the key properties of 2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol?
2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol is sourced from PubChem (CID 101417782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).