4-tert-butylhepta-1,6-dien-4-ol

C11H20O — CID 11286699

IUPAC4-tert-butylhepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C(C)(C)C
InChIInChI=1S/C11H20O/c1-6-8-11(12,9-7-2)10(3,4)5/h6-7,12H,1-2,8-9H2,3-5H3
InChIKeyOFHQRFLUMSVPOP-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds4

About 4-tert-butylhepta-1,6-dien-4-ol

4-tert-butylhepta-1,6-dien-4-ol (PubChem CID 11286699) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-tert-butylhepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-tert-butylhepta-1,6-dien-4-ol
PubChem CID11286699
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-tert-butylhepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C(C)(C)C
InChIInChI=1S/C11H20O/c1-6-8-11(12,9-7-2)10(3,4)5/h6-7,12H,1-2,8-9H2,3-5H3
InChIKeyOFHQRFLUMSVPOP-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-tert-butylhepta-1,6-dien-4-ol?
The IUPAC name of 4-tert-butylhepta-1,6-dien-4-ol (CID 11286699) is 4-tert-butylhepta-1,6-dien-4-ol.
What is the SMILES notation for 4-tert-butylhepta-1,6-dien-4-ol?
The canonical SMILES for 4-tert-butylhepta-1,6-dien-4-ol is C=CCC(O)(CC=C)C(C)(C)C.
What is the InChIKey of 4-tert-butylhepta-1,6-dien-4-ol?
The InChIKey is OFHQRFLUMSVPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-8-11(12,9-7-2)10(3,4)5/h6-7,12H,1-2,8-9H2,3-5H3.
What are the key properties of 4-tert-butylhepta-1,6-dien-4-ol?
4-tert-butylhepta-1,6-dien-4-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylhepta-1,6-dien-4-ol is sourced from PubChem (CID 11286699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).