(2S)-2-ethylundec-10-en-1-ol

C13H26O — CID 170849034

IUPAC(2S)-2-ethylundec-10-en-1-ol
SMILESC=CCCCCCCC[C@H](CC)CO
InChIInChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h3,13-14H,1,4-12H2,2H3/t13-/m0/s1
InChIKeyXKOBJYDHXGPQKD-ZDUSSCGKSA-N
MW198.35 g/mol
LogP3.92
Rot. Bonds10

About (2S)-2-ethylundec-10-en-1-ol

(2S)-2-ethylundec-10-en-1-ol (PubChem CID 170849034) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (2S)-2-ethylundec-10-en-1-ol.

Molecular Properties

Compound Name(2S)-2-ethylundec-10-en-1-ol
PubChem CID170849034
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(2S)-2-ethylundec-10-en-1-ol
SMILESC=CCCCCCCC[C@H](CC)CO
InChIInChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h3,13-14H,1,4-12H2,2H3/t13-/m0/s1
InChIKeyXKOBJYDHXGPQKD-ZDUSSCGKSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
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

2-dec-9-enylpropane-1,3-diol
CID 135271441
10-ethyldocos-1-ene
CID 91804827
8-ethylpentadec-1-ene
CID 91081893
9-ethylhexadec-1-ene
CID 163949602
2-(hydroxymethyl)-6-undec-10-enylheptane-1,4,7-triol
CID 141449008
6-ethyltridec-1-ene
CID 174048481
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
9-propyldodec-1-ene
CID 174048054
26-heptadecylnonapentacont-1-ene
CID 123445046
2-ethyldodecan-1-ol
CID 545553
13-pent-4-enylheptacosa-1,26-diene
CID 91232021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethylundec-10-en-1-ol?
The IUPAC name of (2S)-2-ethylundec-10-en-1-ol (CID 170849034) is (2S)-2-ethylundec-10-en-1-ol.
What is the SMILES notation for (2S)-2-ethylundec-10-en-1-ol?
The canonical SMILES for (2S)-2-ethylundec-10-en-1-ol is C=CCCCCCCC[C@H](CC)CO.
What is the InChIKey of (2S)-2-ethylundec-10-en-1-ol?
The InChIKey is XKOBJYDHXGPQKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h3,13-14H,1,4-12H2,2H3/t13-/m0/s1.
What are the key properties of (2S)-2-ethylundec-10-en-1-ol?
(2S)-2-ethylundec-10-en-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethylundec-10-en-1-ol is sourced from PubChem (CID 170849034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).