2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol

C15H24O — CID 174161326

IUPAC2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol
SMILESC=C(C)C(O)CCC(=C)C1CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5,14-16H,1,4,6-10H2,2-3H3
InChIKeyCONNBPFWSVVFMM-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds5

About 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol

2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol (PubChem CID 174161326) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol.

Molecular Properties

Compound Name2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol
PubChem CID174161326
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol
SMILESC=C(C)C(O)CCC(=C)C1CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5,14-16H,1,4,6-10H2,2-3H3
InChIKeyCONNBPFWSVVFMM-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol?
The IUPAC name of 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol (CID 174161326) is 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol.
What is the SMILES notation for 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol?
The canonical SMILES for 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol is C=C(C)C(O)CCC(=C)C1CC=C(C)CC1.
What is the InChIKey of 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol?
The InChIKey is CONNBPFWSVVFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5,14-16H,1,4,6-10H2,2-3H3.
What are the key properties of 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol?
2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol has a molecular weight of 220.36 g/mol, XLogP of 4.01, 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-methylcyclohex-3-en-1-yl)hepta-1,6-dien-3-ol is sourced from PubChem (CID 174161326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).