(E,2S,3S)-3-methylundec-4-en-2-ol

C12H24O — CID 10465011

IUPAC(E,2S,3S)-3-methylundec-4-en-2-ol
SMILESCCCCCC/C=C/[C@H](C)[C@H](C)O
InChIInChI=1S/C12H24O/c1-4-5-6-7-8-9-10-11(2)12(3)13/h9-13H,4-8H2,1-3H3/b10-9+/t11-,12-/m0/s1
InChIKeyXMWMDELDMBCSMP-GSGCRYEPSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds7

About (E,2S,3S)-3-methylundec-4-en-2-ol

(E,2S,3S)-3-methylundec-4-en-2-ol (PubChem CID 10465011) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (E,2S,3S)-3-methylundec-4-en-2-ol.

Molecular Properties

Compound Name(E,2S,3S)-3-methylundec-4-en-2-ol
PubChem CID10465011
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(E,2S,3S)-3-methylundec-4-en-2-ol
SMILESCCCCCC/C=C/[C@H](C)[C@H](C)O
InChIInChI=1S/C12H24O/c1-4-5-6-7-8-9-10-11(2)12(3)13/h9-13H,4-8H2,1-3H3/b10-9+/t11-,12-/m0/s1
InChIKeyXMWMDELDMBCSMP-GSGCRYEPSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.53
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'}

Analyze (E,2S,3S)-3-methylundec-4-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

undec-3-en-2-ol
CID 174515693
(Z,2R)-non-3-en-2-ol
CID 11040800
4,5-dimethylicos-6-ene
CID 72645531
(E)-1-aminodec-3-en-2-ol
CID 101275263
(E)-5,6-dimethylhexadec-7-ene
CID 173368393
(Z,4R)-2-methyldodec-5-en-4-ol
CID 14961442
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
henicos-7-en-6-ol
CID 91409967
(Z,2S,3R)-non-4-ene-2,3-diol
CID 11321105
3-methyltetradec-4-ene
CID 123180851
2-chlorodec-3-ene
CID 71337420
(3S,4Z)-undeca-1,4-dien-3-ol
CID 129408350

Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-3-methylundec-4-en-2-ol?
The IUPAC name of (E,2S,3S)-3-methylundec-4-en-2-ol (CID 10465011) is (E,2S,3S)-3-methylundec-4-en-2-ol.
What is the SMILES notation for (E,2S,3S)-3-methylundec-4-en-2-ol?
The canonical SMILES for (E,2S,3S)-3-methylundec-4-en-2-ol is CCCCCC/C=C/[C@H](C)[C@H](C)O.
What is the InChIKey of (E,2S,3S)-3-methylundec-4-en-2-ol?
The InChIKey is XMWMDELDMBCSMP-GSGCRYEPSA-N. The full InChI is InChI=1S/C12H24O/c1-4-5-6-7-8-9-10-11(2)12(3)13/h9-13H,4-8H2,1-3H3/b10-9+/t11-,12-/m0/s1.
What are the key properties of (E,2S,3S)-3-methylundec-4-en-2-ol?
(E,2S,3S)-3-methylundec-4-en-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S)-3-methylundec-4-en-2-ol is sourced from PubChem (CID 10465011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).