(3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol

C11H20O — CID 5363138

IUPAC(3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol
SMILESCC(C)=C(/C=C/C(C)O)C(C)C
InChIInChI=1S/C11H20O/c1-8(2)11(9(3)4)7-6-10(5)12/h6-8,10,12H,1-5H3/b7-6+
InChIKeyYMAQXOPPAMCPRY-VOTSOKGWSA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds3

About (3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol

(3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol (PubChem CID 5363138) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol
PubChem CID5363138
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol
SMILESCC(C)=C(/C=C/C(C)O)C(C)C
InChIInChI=1S/C11H20O/c1-8(2)11(9(3)4)7-6-10(5)12/h6-8,10,12H,1-5H3/b7-6+
InChIKeyYMAQXOPPAMCPRY-VOTSOKGWSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol?
The IUPAC name of (3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol (CID 5363138) is (3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol.
What is the SMILES notation for (3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol?
The canonical SMILES for (3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol is CC(C)=C(/C=C/C(C)O)C(C)C.
What is the InChIKey of (3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol?
The InChIKey is YMAQXOPPAMCPRY-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)11(9(3)4)7-6-10(5)12/h6-8,10,12H,1-5H3/b7-6+.
What are the key properties of (3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol?
(3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol is sourced from PubChem (CID 5363138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).