ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol

C15H32O — CID 143979742

IUPACethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
SMILESC=C/C(=C\C=C/C)C(C)O.CC.CC.CC
InChIInChI=1S/C9H14O.3C2H6/c1-4-6-7-9(5-2)8(3)10;3*1-2/h4-8,10H,2H2,1,3H3;3*1-2H3/b6-4-,9-7+;;;
InChIKeyLJLPGXJAVACWPD-XPSXWSNBSA-N
MW228.42 g/mol
LogP5.13
Rot. Bonds3

About ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol

ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol (PubChem CID 143979742) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol.

Molecular Properties

Compound Nameethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
PubChem CID143979742
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Nameethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
SMILESC=C/C(=C\C=C/C)C(C)O.CC.CC.CC
InChIInChI=1S/C9H14O.3C2H6/c1-4-6-7-9(5-2)8(3)10;3*1-2/h4-8,10H,2H2,1,3H3;3*1-2H3/b6-4-,9-7+;;;
InChIKeyLJLPGXJAVACWPD-XPSXWSNBSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.13
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)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
CID 88880590
(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine
CID 145148442
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine
CID 164573224
ethane;(3E,5Z)-3-propan-2-yloxyhepta-1,3,5-triene
CID 143474027
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
(2R,3E,5Z)-N-benzyl-3-ethenylhepta-3,5-dien-2-amine
CID 170263201
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
CID 156838266
ethane;(3E,5E)-3-methylsulfanylhepta-1,3,5-triene
CID 142207373
(3E,5Z)-3-iodohepta-1,3,5-triene
CID 89257521

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol?
The IUPAC name of ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol (CID 143979742) is ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol.
What is the SMILES notation for ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol?
The canonical SMILES for ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol is C=C/C(=C\C=C/C)C(C)O.CC.CC.CC.
What is the InChIKey of ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol?
The InChIKey is LJLPGXJAVACWPD-XPSXWSNBSA-N. The full InChI is InChI=1S/C9H14O.3C2H6/c1-4-6-7-9(5-2)8(3)10;3*1-2/h4-8,10H,2H2,1,3H3;3*1-2H3/b6-4-,9-7+;;;.
What are the key properties of ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol?
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol has a molecular weight of 228.42 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol is sourced from PubChem (CID 143979742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).