4-(2-methylpropyl)hepta-1,6-dien-4-ol

C11H20O — CID 3028545

IUPAC4-(2-methylpropyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CC(C)C
InChIInChI=1S/C11H20O/c1-5-7-11(12,8-6-2)9-10(3)4/h5-6,10,12H,1-2,7-9H2,3-4H3
InChIKeyKORKXEOJQDOLLP-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds6

About 4-(2-methylpropyl)hepta-1,6-dien-4-ol

4-(2-methylpropyl)hepta-1,6-dien-4-ol (PubChem CID 3028545) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-(2-methylpropyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(2-methylpropyl)hepta-1,6-dien-4-ol
PubChem CID3028545
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-(2-methylpropyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CC(C)C
InChIInChI=1S/C11H20O/c1-5-7-11(12,8-6-2)9-10(3)4/h5-6,10,12H,1-2,7-9H2,3-4H3
InChIKeyKORKXEOJQDOLLP-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(2-methylpropyl)hepta-1,6-dien-4-ol (CID 3028545) is 4-(2-methylpropyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(2-methylpropyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(2-methylpropyl)hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)CC(C)C.
What is the InChIKey of 4-(2-methylpropyl)hepta-1,6-dien-4-ol?
The InChIKey is KORKXEOJQDOLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-7-11(12,8-6-2)9-10(3)4/h5-6,10,12H,1-2,7-9H2,3-4H3.
What are the key properties of 4-(2-methylpropyl)hepta-1,6-dien-4-ol?
4-(2-methylpropyl)hepta-1,6-dien-4-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 3028545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).