(3R,4R)-2-methylhept-6-ene-3,4-diol

C8H16O2 — CID 102481359

IUPAC(3R,4R)-2-methylhept-6-ene-3,4-diol
SMILESC=CC[C@@H](O)[C@H](O)C(C)C
InChIInChI=1S/C8H16O2/c1-4-5-7(9)8(10)6(2)3/h4,6-10H,1,5H2,2-3H3/t7-,8-/m1/s1
InChIKeyRPQZCAVTFINSCY-HTQZYQBOSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds4

About (3R,4R)-2-methylhept-6-ene-3,4-diol

(3R,4R)-2-methylhept-6-ene-3,4-diol (PubChem CID 102481359) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3R,4R)-2-methylhept-6-ene-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2-methylhept-6-ene-3,4-diol
PubChem CID102481359
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3R,4R)-2-methylhept-6-ene-3,4-diol
SMILESC=CC[C@@H](O)[C@H](O)C(C)C
InChIInChI=1S/C8H16O2/c1-4-5-7(9)8(10)6(2)3/h4,6-10H,1,5H2,2-3H3/t7-,8-/m1/s1
InChIKeyRPQZCAVTFINSCY-HTQZYQBOSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.94
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

5-Methyl-1-hepten-4-ol
CID 145341
4-Methyl-6-hepten-3-ol
CID 547700
(3R,4S)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860351
(3S,4R)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860352
(3R,4R)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 162979485
(3S,4S)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 163189878
3,5-Dimethyl-1,6-heptadien-4-ol
CID 537207
(3R,4S,5R)-3,5-dimethylhept-1-en-4-ol
CID 12703995
(4R,5S)-5-methylhept-1-en-4-ol
CID 14396925
2-Methyl-5-methylene-6-hepten-3-ol
CID 14484349
2,5-Dimethyl-5-hexen-3-ol
CID 144264
2-Methyl-6-hepten-3-ol
CID 144868

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-methylhept-6-ene-3,4-diol?
The IUPAC name of (3R,4R)-2-methylhept-6-ene-3,4-diol (CID 102481359) is (3R,4R)-2-methylhept-6-ene-3,4-diol.
What is the SMILES notation for (3R,4R)-2-methylhept-6-ene-3,4-diol?
The canonical SMILES for (3R,4R)-2-methylhept-6-ene-3,4-diol is C=CC[C@@H](O)[C@H](O)C(C)C.
What is the InChIKey of (3R,4R)-2-methylhept-6-ene-3,4-diol?
The InChIKey is RPQZCAVTFINSCY-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-7(9)8(10)6(2)3/h4,6-10H,1,5H2,2-3H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-2-methylhept-6-ene-3,4-diol?
(3R,4R)-2-methylhept-6-ene-3,4-diol has a molecular weight of 144.21 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-methylhept-6-ene-3,4-diol is sourced from PubChem (CID 102481359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).