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

C13H26O — CID 71407394

IUPAC2,3,4,5,6,6-hexamethylhept-3-en-2-ol
SMILESCC(=C(C)C(C)(C)O)C(C)C(C)(C)C
InChIInChI=1S/C13H26O/c1-9(10(2)12(4,5)6)11(3)13(7,8)14/h10,14H,1-8H3
InChIKeyFMFPEBONUBVZAJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.78
Rot. Bonds2

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

2,3,4,5,6,6-hexamethylhept-3-en-2-ol (PubChem CID 71407394) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,3,4,5,6,6-hexamethylhept-3-en-2-ol.

Molecular Properties

Compound Name2,3,4,5,6,6-hexamethylhept-3-en-2-ol
PubChem CID71407394
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2,3,4,5,6,6-hexamethylhept-3-en-2-ol
SMILESCC(=C(C)C(C)(C)O)C(C)C(C)(C)C
InChIInChI=1S/C13H26O/c1-9(10(2)12(4,5)6)11(3)13(7,8)14/h10,14H,1-8H3
InChIKeyFMFPEBONUBVZAJ-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.78
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 2,3,4,5,6,6-hexamethylhept-3-en-2-ol?
The IUPAC name of 2,3,4,5,6,6-hexamethylhept-3-en-2-ol (CID 71407394) is 2,3,4,5,6,6-hexamethylhept-3-en-2-ol.
What is the SMILES notation for 2,3,4,5,6,6-hexamethylhept-3-en-2-ol?
The canonical SMILES for 2,3,4,5,6,6-hexamethylhept-3-en-2-ol is CC(=C(C)C(C)(C)O)C(C)C(C)(C)C.
What is the InChIKey of 2,3,4,5,6,6-hexamethylhept-3-en-2-ol?
The InChIKey is FMFPEBONUBVZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-9(10(2)12(4,5)6)11(3)13(7,8)14/h10,14H,1-8H3.
What are the key properties of 2,3,4,5,6,6-hexamethylhept-3-en-2-ol?
2,3,4,5,6,6-hexamethylhept-3-en-2-ol has a molecular weight of 198.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,6-hexamethylhept-3-en-2-ol is sourced from PubChem (CID 71407394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).