(2R,4E)-hepta-4,6-dien-2-ol

C7H12O — CID 101213551

IUPAC(2R,4E)-hepta-4,6-dien-2-ol
SMILESC=C/C=C/C[C@@H](C)O
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-5,7-8H,1,6H2,2H3/b5-4+/t7-/m1/s1
InChIKeyLIVXGUWPALMDDP-SMMXGFFBSA-N
MW112.17 g/mol
LogP1.50
Rot. Bonds3

About (2R,4E)-hepta-4,6-dien-2-ol

(2R,4E)-hepta-4,6-dien-2-ol (PubChem CID 101213551) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (2R,4E)-hepta-4,6-dien-2-ol.

Molecular Properties

Compound Name(2R,4E)-hepta-4,6-dien-2-ol
PubChem CID101213551
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(2R,4E)-hepta-4,6-dien-2-ol
SMILESC=C/C=C/C[C@@H](C)O
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-5,7-8H,1,6H2,2H3/b5-4+/t7-/m1/s1
InChIKeyLIVXGUWPALMDDP-SMMXGFFBSA-N
XLogP1.50
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 ≤ 51.50
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

(4S,6E)-2-methylnona-6,8-dien-4-ol
CID 162418483
(5E)-octa-5,7-dien-3-ol
CID 12576352
octa-1,5,7-trien-3-ol
CID 57193976
(3Z)-6,7-dimethylocta-1,3-diene
CID 145174537
(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol
CID 141148513
azane;pent-4-en-2-ol
CID 22149561
(4Z,6E)-7,8-dimethylnona-4,6-dien-2-ol
CID 142105657
3-penta-2,4-dienylpentane-2,4-dione
CID 539300
(3E,5E,10E)-8-hydroxytrideca-3,5,10,12-tetraen-2-one
CID 171119152
(3E)-undeca-1,3-dien-6-ol
CID 15579179
(6Z)-2-ethyl-3-hydroxy-4-methylnona-6,8-dienal
CID 59762600
(6E)-2-methylnona-6,8-dien-3-ol
CID 14545535

Frequently Asked Questions

What is the IUPAC name of (2R,4E)-hepta-4,6-dien-2-ol?
The IUPAC name of (2R,4E)-hepta-4,6-dien-2-ol (CID 101213551) is (2R,4E)-hepta-4,6-dien-2-ol.
What is the SMILES notation for (2R,4E)-hepta-4,6-dien-2-ol?
The canonical SMILES for (2R,4E)-hepta-4,6-dien-2-ol is C=C/C=C/C[C@@H](C)O.
What is the InChIKey of (2R,4E)-hepta-4,6-dien-2-ol?
The InChIKey is LIVXGUWPALMDDP-SMMXGFFBSA-N. The full InChI is InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-5,7-8H,1,6H2,2H3/b5-4+/t7-/m1/s1.
What are the key properties of (2R,4E)-hepta-4,6-dien-2-ol?
(2R,4E)-hepta-4,6-dien-2-ol has a molecular weight of 112.17 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E)-hepta-4,6-dien-2-ol is sourced from PubChem (CID 101213551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).