(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol

C15H30O — CID 24854557

IUPAC(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol
SMILESC=C[C@@H](C)[C@@H](O)[C@H](C)CCCCCCCC
InChIInChI=1S/C15H30O/c1-5-7-8-9-10-11-12-14(4)15(16)13(3)6-2/h6,13-16H,2,5,7-12H2,1,3-4H3/t13-,14-,15-/m1/s1
InChIKeyZUJLEVBTELPKHU-RBSFLKMASA-N
MW226.40 g/mol
LogP4.56
Rot. Bonds10

About (3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol

(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol (PubChem CID 24854557) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol.

Molecular Properties

Compound Name(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol
PubChem CID24854557
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol
SMILESC=C[C@@H](C)[C@@H](O)[C@H](C)CCCCCCCC
InChIInChI=1S/C15H30O/c1-5-7-8-9-10-11-12-14(4)15(16)13(3)6-2/h6,13-16H,2,5,7-12H2,1,3-4H3/t13-,14-,15-/m1/s1
InChIKeyZUJLEVBTELPKHU-RBSFLKMASA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.56
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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Related Compounds

(3S,4R)-3-methylundec-1-en-4-ol
CID 10986975
(3R,4R,5S)-3,5-dimethylhept-1-en-4-ol
CID 12703990
7-iodo-3,5-dimethylhept-1-en-4-ol
CID 18921061
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
4-ethyl-3-methyldodec-1-ene
CID 145405438
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
(3R,4R)-3-methyloct-1-en-4-ol
CID 13087267
8,9-dimethylhexacosane
CID 160651612
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol?
The IUPAC name of (3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol (CID 24854557) is (3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol.
What is the SMILES notation for (3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol?
The canonical SMILES for (3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol is C=C[C@@H](C)[C@@H](O)[C@H](C)CCCCCCCC.
What is the InChIKey of (3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol?
The InChIKey is ZUJLEVBTELPKHU-RBSFLKMASA-N. The full InChI is InChI=1S/C15H30O/c1-5-7-8-9-10-11-12-14(4)15(16)13(3)6-2/h6,13-16H,2,5,7-12H2,1,3-4H3/t13-,14-,15-/m1/s1.
What are the key properties of (3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol?
(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol has a molecular weight of 226.40 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol is sourced from PubChem (CID 24854557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).