4-ethenyl-4-methylhept-6-en-3-ol

C10H18O — CID 20501837

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

About 4-ethenyl-4-methylhept-6-en-3-ol

4-ethenyl-4-methylhept-6-en-3-ol (PubChem CID 20501837) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-ethenyl-4-methylhept-6-en-3-ol.

Molecular Properties

Compound Name4-ethenyl-4-methylhept-6-en-3-ol
PubChem CID20501837
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-ethenyl-4-methylhept-6-en-3-ol
SMILESC=CCC(C)(C=C)C(O)CC
InChIInChI=1S/C10H18O/c1-5-8-10(4,7-3)9(11)6-2/h5,7,9,11H,1,3,6,8H2,2,4H3
InChIKeySMUZABZUOXJGFL-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-ethenyl-4-methylhept-6-en-3-ol?
The IUPAC name of 4-ethenyl-4-methylhept-6-en-3-ol (CID 20501837) is 4-ethenyl-4-methylhept-6-en-3-ol.
What is the SMILES notation for 4-ethenyl-4-methylhept-6-en-3-ol?
The canonical SMILES for 4-ethenyl-4-methylhept-6-en-3-ol is C=CCC(C)(C=C)C(O)CC.
What is the InChIKey of 4-ethenyl-4-methylhept-6-en-3-ol?
The InChIKey is SMUZABZUOXJGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-8-10(4,7-3)9(11)6-2/h5,7,9,11H,1,3,6,8H2,2,4H3.
What are the key properties of 4-ethenyl-4-methylhept-6-en-3-ol?
4-ethenyl-4-methylhept-6-en-3-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-ethenyl-4-methylhept-6-en-3-ol is sourced from PubChem (CID 20501837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).