(3Z)-hepta-1,3-dien-3-ol

C7H12O — CID 102117961

IUPAC(3Z)-hepta-1,3-dien-3-ol
SMILESC=C/C(O)=C/CCC
InChIInChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4,6,8H,2-3,5H2,1H3/b7-6-
InChIKeyRLOGFVRYJHPFNA-SREVYHEPSA-N
MW112.17 g/mol
LogP2.41
Rot. Bonds3

About (3Z)-hepta-1,3-dien-3-ol

(3Z)-hepta-1,3-dien-3-ol (PubChem CID 102117961) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (3Z)-hepta-1,3-dien-3-ol.

Molecular Properties

Compound Name(3Z)-hepta-1,3-dien-3-ol
PubChem CID102117961
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(3Z)-hepta-1,3-dien-3-ol
SMILESC=C/C(O)=C/CCC
InChIInChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4,6,8H,2-3,5H2,1H3/b7-6-
InChIKeyRLOGFVRYJHPFNA-SREVYHEPSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.41
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

but-1-ene;ethane;(3E)-hexa-1,3-dien-3-ol
CID 143333385
(3E)-3-chlorohepta-1,3-diene
CID 88589148
pent-1-ene-1,1-diol
CID 21473005
(3E)-hepta-1,3-diene-3-diazonium
CID 143333570
4-prop-2-enylocta-1,4-diene
CID 173317146
(3E)-6-methylhepta-1,3-dien-3-ol
CID 89230926
1-iodopent-1-en-1-ol
CID 154405328
(Z)-1-fluoropent-1-en-1-ol
CID 173232591
1-methylsulfonylpent-1-en-1-ol
CID 141149900
(111C)pent-1-ene
CID 177423582
hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
CID 172808064
tetrakis(3-methanidylhept-3-ene);titanium(4+)
CID 173169772

Frequently Asked Questions

What is the IUPAC name of (3Z)-hepta-1,3-dien-3-ol?
The IUPAC name of (3Z)-hepta-1,3-dien-3-ol (CID 102117961) is (3Z)-hepta-1,3-dien-3-ol.
What is the SMILES notation for (3Z)-hepta-1,3-dien-3-ol?
The canonical SMILES for (3Z)-hepta-1,3-dien-3-ol is C=C/C(O)=C/CCC.
What is the InChIKey of (3Z)-hepta-1,3-dien-3-ol?
The InChIKey is RLOGFVRYJHPFNA-SREVYHEPSA-N. The full InChI is InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4,6,8H,2-3,5H2,1H3/b7-6-.
What are the key properties of (3Z)-hepta-1,3-dien-3-ol?
(3Z)-hepta-1,3-dien-3-ol has a molecular weight of 112.17 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-hepta-1,3-dien-3-ol is sourced from PubChem (CID 102117961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).