(3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol

C13H24O2 — CID 177496841

IUPAC(3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol
SMILESC=CCOC/C=C(/CCCCC)C(C)O
InChIInChI=1S/C13H24O2/c1-4-6-7-8-13(12(3)14)9-11-15-10-5-2/h5,9,12,14H,2,4,6-8,10-11H2,1,3H3/b13-9-
InChIKeyIZGPELRANHBGOX-LCYFTJDESA-N
MW212.33 g/mol
LogP3.08
Rot. Bonds9

About (3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol

(3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol (PubChem CID 177496841) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol.

Molecular Properties

Compound Name(3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol
PubChem CID177496841
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol
SMILESC=CCOC/C=C(/CCCCC)C(C)O
InChIInChI=1S/C13H24O2/c1-4-6-7-8-13(12(3)14)9-11-15-10-5-2/h5,9,12,14H,2,4,6-8,10-11H2,1,3H3/b13-9-
InChIKeyIZGPELRANHBGOX-LCYFTJDESA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(3E)-3-hexylnona-3,8-dien-2-ol
CID 101365454
3-propyldodec-3-en-2-ol
CID 71375191
2-hydroxypropanethioic S-acid;3-prop-2-enoxyprop-1-ene
CID 86631788
2-propylidenedecane-1,1-diol
CID 174657973
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577
1-prop-2-enoxypentane;zirconium
CID 175164581
3-methyl-1-prop-2-enoxybut-2-ene
CID 11366991
ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene
CID 166644636
1-prop-2-enoxyundec-2-ene
CID 162942387
formic acid;1-prop-2-enoxypentane
CID 174234349
[(2R)-2,3-bis(prop-2-enoxy)propyl] octadecanoate
CID 98572567

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol?
The IUPAC name of (3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol (CID 177496841) is (3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol.
What is the SMILES notation for (3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol?
The canonical SMILES for (3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol is C=CCOC/C=C(/CCCCC)C(C)O.
What is the InChIKey of (3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol?
The InChIKey is IZGPELRANHBGOX-LCYFTJDESA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-7-8-13(12(3)14)9-11-15-10-5-2/h5,9,12,14H,2,4,6-8,10-11H2,1,3H3/b13-9-.
What are the key properties of (3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol?
(3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol has a molecular weight of 212.33 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-prop-2-enoxyethylidene)octan-2-ol is sourced from PubChem (CID 177496841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).