ethane;(4Z)-5-methylhepta-4,6-dien-2-ol

C10H20O — CID 143259573

IUPACethane;(4Z)-5-methylhepta-4,6-dien-2-ol
SMILESC=C/C(C)=C\CC(C)O.CC
InChIInChI=1S/C8H14O.C2H6/c1-4-7(2)5-6-8(3)9;1-2/h4-5,8-9H,1,6H2,2-3H3;1-2H3/b7-5-;
InChIKeyAJZZOWMWLDNSDH-YJOCEBFMSA-N
MW156.27 g/mol
LogP2.92
Rot. Bonds3

About ethane;(4Z)-5-methylhepta-4,6-dien-2-ol

ethane;(4Z)-5-methylhepta-4,6-dien-2-ol (PubChem CID 143259573) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;(4Z)-5-methylhepta-4,6-dien-2-ol.

Molecular Properties

Compound Nameethane;(4Z)-5-methylhepta-4,6-dien-2-ol
PubChem CID143259573
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Nameethane;(4Z)-5-methylhepta-4,6-dien-2-ol
SMILESC=C/C(C)=C\CC(C)O.CC
InChIInChI=1S/C8H14O.C2H6/c1-4-7(2)5-6-8(3)9;1-2/h4-5,8-9H,1,6H2,2-3H3;1-2H3/b7-5-;
InChIKeyAJZZOWMWLDNSDH-YJOCEBFMSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.92
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

6-Methyl-5-hepten-2-ol
CID 20745
2,6-Dimethylocta-1,5,7-trien-3-ol
CID 5362854
Ipsdienol
CID 92301
2-Methyl-6-methylene-2,7-octadien-4-ol
CID 85734
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
CID 181296
2,6-Dimethyl-2,6-undecadien-10-ol
CID 5370125
3Z,6Z,8E-Dodecatrien-1-ol
CID 6442192
4,6,10,12-Tridecatetraene-2,8-diol
CID 10846053
Aspinotriol B
CID 24763080
3Z,6E,8E-Dodecatrien-1-ol
CID 10976097
trans-Ocimenol
CID 6430998
(+)-6-Methyl-5-hepten-2-ol
CID 6971127

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-5-methylhepta-4,6-dien-2-ol?
The IUPAC name of ethane;(4Z)-5-methylhepta-4,6-dien-2-ol (CID 143259573) is ethane;(4Z)-5-methylhepta-4,6-dien-2-ol.
What is the SMILES notation for ethane;(4Z)-5-methylhepta-4,6-dien-2-ol?
The canonical SMILES for ethane;(4Z)-5-methylhepta-4,6-dien-2-ol is C=C/C(C)=C\CC(C)O.CC.
What is the InChIKey of ethane;(4Z)-5-methylhepta-4,6-dien-2-ol?
The InChIKey is AJZZOWMWLDNSDH-YJOCEBFMSA-N. The full InChI is InChI=1S/C8H14O.C2H6/c1-4-7(2)5-6-8(3)9;1-2/h4-5,8-9H,1,6H2,2-3H3;1-2H3/b7-5-;.
What are the key properties of ethane;(4Z)-5-methylhepta-4,6-dien-2-ol?
ethane;(4Z)-5-methylhepta-4,6-dien-2-ol has a molecular weight of 156.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-5-methylhepta-4,6-dien-2-ol is sourced from PubChem (CID 143259573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).