hepta-5,6-dien-2-ol

C7H12O — CID 11051609

IUPAChepta-5,6-dien-2-ol
SMILESC=C=CCCC(C)O
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4,7-8H,1,5-6H2,2H3
InChIKeyPONHPBDKKGENJC-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.49
Rot. Bonds3

About hepta-5,6-dien-2-ol

hepta-5,6-dien-2-ol (PubChem CID 11051609) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is hepta-5,6-dien-2-ol.

Molecular Properties

Compound Namehepta-5,6-dien-2-ol
PubChem CID11051609
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Namehepta-5,6-dien-2-ol
SMILESC=C=CCCC(C)O
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4,7-8H,1,5-6H2,2H3
InChIKeyPONHPBDKKGENJC-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hepta-5,6-dien-2-ol?
The IUPAC name of hepta-5,6-dien-2-ol (CID 11051609) is hepta-5,6-dien-2-ol.
What is the SMILES notation for hepta-5,6-dien-2-ol?
The canonical SMILES for hepta-5,6-dien-2-ol is C=C=CCCC(C)O.
What is the InChIKey of hepta-5,6-dien-2-ol?
The InChIKey is PONHPBDKKGENJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4,7-8H,1,5-6H2,2H3.
What are the key properties of hepta-5,6-dien-2-ol?
hepta-5,6-dien-2-ol has a molecular weight of 112.17 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-5,6-dien-2-ol is sourced from PubChem (CID 11051609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).