(6S,7S)-7,11-dimethyldodec-10-en-6-ol

C14H28O — CID 56642773

IUPAC(6S,7S)-7,11-dimethyldodec-10-en-6-ol
SMILESCCCCC[C@H](O)[C@@H](C)CCC=C(C)C
InChIInChI=1S/C14H28O/c1-5-6-7-11-14(15)13(4)10-8-9-12(2)3/h9,13-15H,5-8,10-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyVCRJWTIOKBKQJP-KBPBESRZSA-N
MW212.38 g/mol
LogP4.31
Rot. Bonds8

About (6S,7S)-7,11-dimethyldodec-10-en-6-ol

(6S,7S)-7,11-dimethyldodec-10-en-6-ol (PubChem CID 56642773) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (6S,7S)-7,11-dimethyldodec-10-en-6-ol.

Molecular Properties

Compound Name(6S,7S)-7,11-dimethyldodec-10-en-6-ol
PubChem CID56642773
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(6S,7S)-7,11-dimethyldodec-10-en-6-ol
SMILESCCCCC[C@H](O)[C@@H](C)CCC=C(C)C
InChIInChI=1S/C14H28O/c1-5-6-7-11-14(15)13(4)10-8-9-12(2)3/h9,13-15H,5-8,10-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyVCRJWTIOKBKQJP-KBPBESRZSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S,7S)-7,11-dimethyldodec-10-en-6-ol?
The IUPAC name of (6S,7S)-7,11-dimethyldodec-10-en-6-ol (CID 56642773) is (6S,7S)-7,11-dimethyldodec-10-en-6-ol.
What is the SMILES notation for (6S,7S)-7,11-dimethyldodec-10-en-6-ol?
The canonical SMILES for (6S,7S)-7,11-dimethyldodec-10-en-6-ol is CCCCC[C@H](O)[C@@H](C)CCC=C(C)C.
What is the InChIKey of (6S,7S)-7,11-dimethyldodec-10-en-6-ol?
The InChIKey is VCRJWTIOKBKQJP-KBPBESRZSA-N. The full InChI is InChI=1S/C14H28O/c1-5-6-7-11-14(15)13(4)10-8-9-12(2)3/h9,13-15H,5-8,10-11H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (6S,7S)-7,11-dimethyldodec-10-en-6-ol?
(6S,7S)-7,11-dimethyldodec-10-en-6-ol has a molecular weight of 212.38 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-7,11-dimethyldodec-10-en-6-ol is sourced from PubChem (CID 56642773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).