(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol

C8H12O — CID 89289034

IUPAC(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
SMILESC=C/C(C)=C(O)\C=C/C
InChIInChI=1S/C8H12O/c1-4-6-8(9)7(3)5-2/h4-6,9H,2H2,1,3H3/b6-4-,8-7+
InChIKeyUGRFNZNDQPVOPN-IQTBQJLQSA-N
MW124.18 g/mol
LogP2.58
Rot. Bonds2

About (3E,5Z)-3-methylhepta-1,3,5-trien-4-ol

(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol (PubChem CID 89289034) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (3E,5Z)-3-methylhepta-1,3,5-trien-4-ol.

Molecular Properties

Compound Name(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
PubChem CID89289034
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
SMILESC=C/C(C)=C(O)\C=C/C
InChIInChI=1S/C8H12O/c1-4-6-8(9)7(3)5-2/h4-6,9H,2H2,1,3H3/b6-4-,8-7+
InChIKeyUGRFNZNDQPVOPN-IQTBQJLQSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.58
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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Related Compounds

(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259
(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol
CID 145191934
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
(3E,5Z)-3-methyl-4-(3-methylbuta-1,3-dien-2-yl)hepta-1,3,5-triene
CID 143168001
3,4-dimethylpenta-1,3-diene
CID 6713443
(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine
CID 142987567
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430
but-2-enoic acid;2-ethenyl-3-methylpenta-2,4-dienenitrile
CID 157132961
(3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene
CID 142173895
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]aniline
CID 171844731

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-methylhepta-1,3,5-trien-4-ol?
The IUPAC name of (3E,5Z)-3-methylhepta-1,3,5-trien-4-ol (CID 89289034) is (3E,5Z)-3-methylhepta-1,3,5-trien-4-ol.
What is the SMILES notation for (3E,5Z)-3-methylhepta-1,3,5-trien-4-ol?
The canonical SMILES for (3E,5Z)-3-methylhepta-1,3,5-trien-4-ol is C=C/C(C)=C(O)\C=C/C.
What is the InChIKey of (3E,5Z)-3-methylhepta-1,3,5-trien-4-ol?
The InChIKey is UGRFNZNDQPVOPN-IQTBQJLQSA-N. The full InChI is InChI=1S/C8H12O/c1-4-6-8(9)7(3)5-2/h4-6,9H,2H2,1,3H3/b6-4-,8-7+.
What are the key properties of (3E,5Z)-3-methylhepta-1,3,5-trien-4-ol?
(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol has a molecular weight of 124.18 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-methylhepta-1,3,5-trien-4-ol is sourced from PubChem (CID 89289034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).