6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol

C11H20O — CID 54173872

IUPAC6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol
SMILESC=C(C)C=CC(CCO)C(C)C
InChIInChI=1S/C11H20O/c1-9(2)5-6-11(7-8-12)10(3)4/h5-6,10-12H,1,7-8H2,2-4H3
InChIKeyOWXDIPXDTAMOOI-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.77
Rot. Bonds5

About 6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol

6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol (PubChem CID 54173872) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol
PubChem CID54173872
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol
SMILESC=C(C)C=CC(CCO)C(C)C
InChIInChI=1S/C11H20O/c1-9(2)5-6-11(7-8-12)10(3)4/h5-6,10-12H,1,7-8H2,2-4H3
InChIKeyOWXDIPXDTAMOOI-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.77
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 6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol?
The IUPAC name of 6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol (CID 54173872) is 6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol.
What is the SMILES notation for 6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol?
The canonical SMILES for 6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol is C=C(C)C=CC(CCO)C(C)C.
What is the InChIKey of 6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol?
The InChIKey is OWXDIPXDTAMOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)5-6-11(7-8-12)10(3)4/h5-6,10-12H,1,7-8H2,2-4H3.
What are the key properties of 6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol?
6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol is sourced from PubChem (CID 54173872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).