ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol

C12H22O — CID 143682761

IUPACethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(\C=C/C)CCC.CC
InChIInChI=1S/C10H16O.C2H6/c1-4-7-9(8-5-2)10(11)6-3;1-2/h4,6-7,11H,3,5,8H2,1-2H3;1-2H3/b7-4-,10-9-;
InChIKeyMNEQVPCTNPRQOM-DBDVFUPWSA-N
MW182.31 g/mol
LogP4.39
Rot. Bonds4

About ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol

ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol (PubChem CID 143682761) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol.

Molecular Properties

Compound Nameethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol
PubChem CID143682761
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Nameethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(\C=C/C)CCC.CC
InChIInChI=1S/C10H16O.C2H6/c1-4-7-9(8-5-2)10(11)6-3;1-2/h4,6-7,11H,3,5,8H2,1-2H3;1-2H3/b7-4-,10-9-;
InChIKeyMNEQVPCTNPRQOM-DBDVFUPWSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol?
The IUPAC name of ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol (CID 143682761) is ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol.
What is the SMILES notation for ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol?
The canonical SMILES for ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol is C=C/C(O)=C(\C=C/C)CCC.CC.
What is the InChIKey of ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol?
The InChIKey is MNEQVPCTNPRQOM-DBDVFUPWSA-N. The full InChI is InChI=1S/C10H16O.C2H6/c1-4-7-9(8-5-2)10(11)6-3;1-2/h4,6-7,11H,3,5,8H2,1-2H3;1-2H3/b7-4-,10-9-;.
What are the key properties of ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol?
ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol has a molecular weight of 182.31 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol is sourced from PubChem (CID 143682761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).