(3R,5R)-hepta-1,6-diene-3,5-diol

C7H12O2 — CID 11480453

IUPAC(3R,5R)-hepta-1,6-diene-3,5-diol
SMILESC=C[C@H](O)C[C@@H](O)C=C
InChIInChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-4,6-9H,1-2,5H2/t6-,7-/m0/s1
InChIKeyPEPISENPCDEXJK-BQBZGAKWSA-N
MW128.17 g/mol
LogP0.47
Rot. Bonds4

About (3R,5R)-hepta-1,6-diene-3,5-diol

(3R,5R)-hepta-1,6-diene-3,5-diol (PubChem CID 11480453) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3R,5R)-hepta-1,6-diene-3,5-diol.

Molecular Properties

Compound Name(3R,5R)-hepta-1,6-diene-3,5-diol
PubChem CID11480453
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3R,5R)-hepta-1,6-diene-3,5-diol
SMILESC=C[C@H](O)C[C@@H](O)C=C
InChIInChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-4,6-9H,1-2,5H2/t6-,7-/m0/s1
InChIKeyPEPISENPCDEXJK-BQBZGAKWSA-N
XLogP0.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

hept-1-en-6-yne-3,5-diol
CID 72965032
(3S,5R)-nona-1,8-diene-3,5-diol
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5-(methylamino)hex-1-en-3-ol
CID 143813054
hexa-1,5-dien-3-ol;hydrochloride
CID 174661515
sodium 3,5-dihydroxyhept-6-enoate
CID 23710764
(3S)-5-methyloct-1-en-7-yn-3-ol
CID 170044483
1-chlorobut-3-en-2-ol;chlorosilane
CID 173391675
(2R,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide
CID 134872524
(3S)-3-hydroxypent-4-enoic acid
CID 12740485
(3R)-3-hydroxypent-4-enenitrile
CID 54179979
(3S,5R,6R)-tridec-1-ene-3,5,6-triol
CID 88872101
(5R)-5,9-dimethyldeca-1,8-dien-3-ol
CID 10986927

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-hepta-1,6-diene-3,5-diol?
The IUPAC name of (3R,5R)-hepta-1,6-diene-3,5-diol (CID 11480453) is (3R,5R)-hepta-1,6-diene-3,5-diol.
What is the SMILES notation for (3R,5R)-hepta-1,6-diene-3,5-diol?
The canonical SMILES for (3R,5R)-hepta-1,6-diene-3,5-diol is C=C[C@H](O)C[C@@H](O)C=C.
What is the InChIKey of (3R,5R)-hepta-1,6-diene-3,5-diol?
The InChIKey is PEPISENPCDEXJK-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-4,6-9H,1-2,5H2/t6-,7-/m0/s1.
What are the key properties of (3R,5R)-hepta-1,6-diene-3,5-diol?
(3R,5R)-hepta-1,6-diene-3,5-diol has a molecular weight of 128.17 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-hepta-1,6-diene-3,5-diol is sourced from PubChem (CID 11480453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).