(3R,4S)-3-ethyl-3-methyldec-1-en-4-ol

C13H26O — CID 100923980

IUPAC(3R,4S)-3-ethyl-3-methyldec-1-en-4-ol
SMILESC=C[C@@](C)(CC)[C@@H](O)CCCCCC
InChIInChI=1S/C13H26O/c1-5-8-9-10-11-12(14)13(4,6-2)7-3/h6,12,14H,2,5,7-11H2,1,3-4H3/t12-,13-/m0/s1
InChIKeyACXQKAAEIBCMAD-STQMWFEESA-N
MW198.35 g/mol
LogP3.92
Rot. Bonds8

About (3R,4S)-3-ethyl-3-methyldec-1-en-4-ol

(3R,4S)-3-ethyl-3-methyldec-1-en-4-ol (PubChem CID 100923980) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-3-methyldec-1-en-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-3-methyldec-1-en-4-ol
PubChem CID100923980
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(3R,4S)-3-ethyl-3-methyldec-1-en-4-ol
SMILESC=C[C@@](C)(CC)[C@@H](O)CCCCCC
InChIInChI=1S/C13H26O/c1-5-8-9-10-11-12(14)13(4,6-2)7-3/h6,12,14H,2,5,7-11H2,1,3-4H3/t12-,13-/m0/s1
InChIKeyACXQKAAEIBCMAD-STQMWFEESA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.92
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

(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol
CID 10105646
2-amino-2-ethenyloctadecane-1,3-diol
CID 19927065
3-methyldodecane-3,4-diol
CID 103448703
(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
CID 10354987
3,3-diethyldecan-4-ol
CID 150278197
2-methylheptadecane-2,3-diol
CID 90439823
2-methyldodecane-2,3-diol
CID 90439854
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
3-(aminomethyl)-3-methylundecan-4-ol
CID 79137732
3-hydroxy-2,2-dimethylnonanenitrile
CID 15156105
1-iodo-3-methyldec-1-ene-3,4-diol
CID 57012845
(3-ethenyl-2,2,3,4-tetrahydroxynonadecyl)azanium chloride
CID 140985364

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-3-methyldec-1-en-4-ol?
The IUPAC name of (3R,4S)-3-ethyl-3-methyldec-1-en-4-ol (CID 100923980) is (3R,4S)-3-ethyl-3-methyldec-1-en-4-ol.
What is the SMILES notation for (3R,4S)-3-ethyl-3-methyldec-1-en-4-ol?
The canonical SMILES for (3R,4S)-3-ethyl-3-methyldec-1-en-4-ol is C=C[C@@](C)(CC)[C@@H](O)CCCCCC.
What is the InChIKey of (3R,4S)-3-ethyl-3-methyldec-1-en-4-ol?
The InChIKey is ACXQKAAEIBCMAD-STQMWFEESA-N. The full InChI is InChI=1S/C13H26O/c1-5-8-9-10-11-12(14)13(4,6-2)7-3/h6,12,14H,2,5,7-11H2,1,3-4H3/t12-,13-/m0/s1.
What are the key properties of (3R,4S)-3-ethyl-3-methyldec-1-en-4-ol?
(3R,4S)-3-ethyl-3-methyldec-1-en-4-ol has a molecular weight of 198.35 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-3-methyldec-1-en-4-ol is sourced from PubChem (CID 100923980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).