ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol

C13H28O — CID 143085238

IUPACethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol
SMILESC/C=C(CC)\C(=C/C)CO.CC.CC
InChIInChI=1S/C9H16O.2C2H6/c1-4-8(5-2)9(6-3)7-10;2*1-2/h4,6,10H,5,7H2,1-3H3;2*1-2H3/b8-4-,9-6-;;
InChIKeySHOBXMCRZCWRDG-HIASMNCESA-N
MW200.37 g/mol
LogP4.33
Rot. Bonds3

About ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol

ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol (PubChem CID 143085238) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol.

Molecular Properties

Compound Nameethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol
PubChem CID143085238
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Nameethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol
SMILESC/C=C(CC)\C(=C/C)CO.CC.CC
InChIInChI=1S/C9H16O.2C2H6/c1-4-8(5-2)9(6-3)7-10;2*1-2/h4,6,10H,5,7H2,1-3H3;2*1-2H3/b8-4-,9-6-;;
InChIKeySHOBXMCRZCWRDG-HIASMNCESA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
3-ethylpent-3-en-2-one
CID 54009630
(E)-2-[(Z)-pent-2-en-3-yl]pent-2-en-1-amine
CID 89032252
(E)-2-ethylbut-2-enoic acid;hydrate
CID 162318068
(2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane
CID 143467837
ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
azanium 2-ethylbut-2-enoate
CID 141087619
(2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane
CID 143124692
butane;ethane;3-methylpent-2-ene
CID 145294341
(2Z,4E)-4-bromo-3-ethylhepta-2,4-diene
CID 178143445
methyl (E)-2-(hydroxymethyl)but-2-enoate
CID 14564319
(E)-2-ethyl-N,N-dimethylbut-2-enamide
CID 143612571

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol?
The IUPAC name of ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol (CID 143085238) is ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol.
What is the SMILES notation for ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol?
The canonical SMILES for ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol is C/C=C(CC)\C(=C/C)CO.CC.CC.
What is the InChIKey of ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol?
The InChIKey is SHOBXMCRZCWRDG-HIASMNCESA-N. The full InChI is InChI=1S/C9H16O.2C2H6/c1-4-8(5-2)9(6-3)7-10;2*1-2/h4,6,10H,5,7H2,1-3H3;2*1-2H3/b8-4-,9-6-;;.
What are the key properties of ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol?
ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol has a molecular weight of 200.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol is sourced from PubChem (CID 143085238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).