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

C10H18O — CID 11159437

IUPAC4-propan-2-ylhepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C(C)C
InChIInChI=1S/C10H18O/c1-5-7-10(11,8-6-2)9(3)4/h5-6,9,11H,1-2,7-8H2,3-4H3
InChIKeyVMOVHCWWTUHCGC-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds5

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

4-propan-2-ylhepta-1,6-dien-4-ol (PubChem CID 11159437) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-propan-2-ylhepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-propan-2-ylhepta-1,6-dien-4-ol
PubChem CID11159437
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-propan-2-ylhepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C(C)C
InChIInChI=1S/C10H18O/c1-5-7-10(11,8-6-2)9(3)4/h5-6,9,11H,1-2,7-8H2,3-4H3
InChIKeyVMOVHCWWTUHCGC-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.53
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-propan-2-ylhepta-1,6-dien-4-ol?
The IUPAC name of 4-propan-2-ylhepta-1,6-dien-4-ol (CID 11159437) is 4-propan-2-ylhepta-1,6-dien-4-ol.
What is the SMILES notation for 4-propan-2-ylhepta-1,6-dien-4-ol?
The canonical SMILES for 4-propan-2-ylhepta-1,6-dien-4-ol is C=CCC(O)(CC=C)C(C)C.
What is the InChIKey of 4-propan-2-ylhepta-1,6-dien-4-ol?
The InChIKey is VMOVHCWWTUHCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-7-10(11,8-6-2)9(3)4/h5-6,9,11H,1-2,7-8H2,3-4H3.
What are the key properties of 4-propan-2-ylhepta-1,6-dien-4-ol?
4-propan-2-ylhepta-1,6-dien-4-ol has a molecular weight of 154.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylhepta-1,6-dien-4-ol is sourced from PubChem (CID 11159437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).