3,4,5,6,6-pentamethylhept-3-en-2-ol

C12H24O — CID 154046720

IUPAC3,4,5,6,6-pentamethylhept-3-en-2-ol
SMILESCC(=C(C)C(C)C(C)(C)C)C(C)O
InChIInChI=1S/C12H24O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10-11,13H,1-7H3
InChIKeyDGTSQMXEQGITSY-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.39
Rot. Bonds2

About 3,4,5,6,6-pentamethylhept-3-en-2-ol

3,4,5,6,6-pentamethylhept-3-en-2-ol (PubChem CID 154046720) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3,4,5,6,6-pentamethylhept-3-en-2-ol.

Molecular Properties

Compound Name3,4,5,6,6-pentamethylhept-3-en-2-ol
PubChem CID154046720
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3,4,5,6,6-pentamethylhept-3-en-2-ol
SMILESCC(=C(C)C(C)C(C)(C)C)C(C)O
InChIInChI=1S/C12H24O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10-11,13H,1-7H3
InChIKeyDGTSQMXEQGITSY-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.39
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 3,4,5,6,6-pentamethylhept-3-en-2-ol?
The IUPAC name of 3,4,5,6,6-pentamethylhept-3-en-2-ol (CID 154046720) is 3,4,5,6,6-pentamethylhept-3-en-2-ol.
What is the SMILES notation for 3,4,5,6,6-pentamethylhept-3-en-2-ol?
The canonical SMILES for 3,4,5,6,6-pentamethylhept-3-en-2-ol is CC(=C(C)C(C)C(C)(C)C)C(C)O.
What is the InChIKey of 3,4,5,6,6-pentamethylhept-3-en-2-ol?
The InChIKey is DGTSQMXEQGITSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10-11,13H,1-7H3.
What are the key properties of 3,4,5,6,6-pentamethylhept-3-en-2-ol?
3,4,5,6,6-pentamethylhept-3-en-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,6-pentamethylhept-3-en-2-ol is sourced from PubChem (CID 154046720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).