(E)-3-propyloct-2-en-2-ol

C11H22O — CID 142123066

IUPAC(E)-3-propyloct-2-en-2-ol
SMILESCCCCC/C(CCC)=C(\C)O
InChIInChI=1S/C11H22O/c1-4-6-7-9-11(8-5-2)10(3)12/h12H,4-9H2,1-3H3/b11-10+
InChIKeyAIXVMPWICQGSON-ZHACJKMWSA-N
MW170.30 g/mol
LogP4.20
Rot. Bonds6

About (E)-3-propyloct-2-en-2-ol

(E)-3-propyloct-2-en-2-ol (PubChem CID 142123066) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-3-propyloct-2-en-2-ol.

Molecular Properties

Compound Name(E)-3-propyloct-2-en-2-ol
PubChem CID142123066
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(E)-3-propyloct-2-en-2-ol
SMILESCCCCC/C(CCC)=C(\C)O
InChIInChI=1S/C11H22O/c1-4-6-7-9-11(8-5-2)10(3)12/h12H,4-9H2,1-3H3/b11-10+
InChIKeyAIXVMPWICQGSON-ZHACJKMWSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-methyl-9-propylicos-9-ene
CID 57290137
(Z)-10-methyl-9-propylicos-9-ene
CID 18601799
9,10-dioctyloctadec-9-ene
CID 10814462
5,6-dibutyltetradec-5-ene
CID 19866346
(E)-3-methyl-4-propyloct-3-ene
CID 57107532
(Z)-3-ethyl-2-methylhenicos-2-enoic acid
CID 87705317
8,9-dimethylhexadec-8-ene
CID 140717938
6-butyl-7-ethyltetradec-6-ene
CID 57142303
10-butyl-11-ethyldocos-10-ene
CID 57219160
butanoic acid;tetradecanoic acid
CID 157185085
5-ethyl-4-methylnon-4-ene
CID 143021471
butanoic acid;heptanoic acid
CID 88628383

Frequently Asked Questions

What is the IUPAC name of (E)-3-propyloct-2-en-2-ol?
The IUPAC name of (E)-3-propyloct-2-en-2-ol (CID 142123066) is (E)-3-propyloct-2-en-2-ol.
What is the SMILES notation for (E)-3-propyloct-2-en-2-ol?
The canonical SMILES for (E)-3-propyloct-2-en-2-ol is CCCCC/C(CCC)=C(\C)O.
What is the InChIKey of (E)-3-propyloct-2-en-2-ol?
The InChIKey is AIXVMPWICQGSON-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H22O/c1-4-6-7-9-11(8-5-2)10(3)12/h12H,4-9H2,1-3H3/b11-10+.
What are the key properties of (E)-3-propyloct-2-en-2-ol?
(E)-3-propyloct-2-en-2-ol has a molecular weight of 170.30 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-propyloct-2-en-2-ol is sourced from PubChem (CID 142123066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).