(4S)-2,3,3,6-tetramethylhept-1-en-4-ol

C11H22O — CID 146265564

IUPAC(4S)-2,3,3,6-tetramethylhept-1-en-4-ol
SMILESC=C(C)C(C)(C)[C@@H](O)CC(C)C
InChIInChI=1S/C11H22O/c1-8(2)7-10(12)11(5,6)9(3)4/h8,10,12H,3,7H2,1-2,4-6H3/t10-/m0/s1
InChIKeyJTOUHNZVLFXDSE-JTQLQIEISA-N
MW170.30 g/mol
LogP3.00
Rot. Bonds4

About (4S)-2,3,3,6-tetramethylhept-1-en-4-ol

(4S)-2,3,3,6-tetramethylhept-1-en-4-ol (PubChem CID 146265564) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (4S)-2,3,3,6-tetramethylhept-1-en-4-ol.

Molecular Properties

Compound Name(4S)-2,3,3,6-tetramethylhept-1-en-4-ol
PubChem CID146265564
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(4S)-2,3,3,6-tetramethylhept-1-en-4-ol
SMILESC=C(C)C(C)(C)[C@@H](O)CC(C)C
InChIInChI=1S/C11H22O/c1-8(2)7-10(12)11(5,6)9(3)4/h8,10,12H,3,7H2,1-2,4-6H3/t10-/m0/s1
InChIKeyJTOUHNZVLFXDSE-JTQLQIEISA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.00
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 (4S)-2,3,3,6-tetramethylhept-1-en-4-ol?
The IUPAC name of (4S)-2,3,3,6-tetramethylhept-1-en-4-ol (CID 146265564) is (4S)-2,3,3,6-tetramethylhept-1-en-4-ol.
What is the SMILES notation for (4S)-2,3,3,6-tetramethylhept-1-en-4-ol?
The canonical SMILES for (4S)-2,3,3,6-tetramethylhept-1-en-4-ol is C=C(C)C(C)(C)[C@@H](O)CC(C)C.
What is the InChIKey of (4S)-2,3,3,6-tetramethylhept-1-en-4-ol?
The InChIKey is JTOUHNZVLFXDSE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)7-10(12)11(5,6)9(3)4/h8,10,12H,3,7H2,1-2,4-6H3/t10-/m0/s1.
What are the key properties of (4S)-2,3,3,6-tetramethylhept-1-en-4-ol?
(4S)-2,3,3,6-tetramethylhept-1-en-4-ol has a molecular weight of 170.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,3,3,6-tetramethylhept-1-en-4-ol is sourced from PubChem (CID 146265564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).