(2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol

C10H18O2 — CID 162867038

IUPAC(2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol
SMILESC=C[C@@](O)(CO)CCC=C(C)C
InChIInChI=1S/C10H18O2/c1-4-10(12,8-11)7-5-6-9(2)3/h4,6,11-12H,1,5,7-8H2,2-3H3/t10-/m0/s1
InChIKeyOFWOMCSHJWTBGF-JTQLQIEISA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds5

About (2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol

(2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol (PubChem CID 162867038) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol.

Molecular Properties

Compound Name(2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol
PubChem CID162867038
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol
SMILESC=C[C@@](O)(CO)CCC=C(C)C
InChIInChI=1S/C10H18O2/c1-4-10(12,8-11)7-5-6-9(2)3/h4,6,11-12H,1,5,7-8H2,2-3H3/t10-/m0/s1
InChIKeyOFWOMCSHJWTBGF-JTQLQIEISA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
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

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Npc213918
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3,7-Dimethyl-3-octene-1,2,6,7-tetrol
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Boletinin A
CID 11198071
(6E)-2,6,10-Trimethyldodeca-6,11-diene-2,3,10-triol
CID 14139796
(S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol
CID 89802642
(3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol
CID 10355067
2-(Y(E)-propenyl)-octa-4(E),6(Z)-diene-1,2diol
CID 10511649
(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol
CID 11206026
(3S,5E)-2,6-Dimethyl-5,7-octadiene-2,3-diol
CID 15885839
CID 188028
CID 188028
1,6-Octadiene-1,3-diol, 3,7-dimethyl-
CID 537782

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol?
The IUPAC name of (2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol (CID 162867038) is (2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol.
What is the SMILES notation for (2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol?
The canonical SMILES for (2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol is C=C[C@@](O)(CO)CCC=C(C)C.
What is the InChIKey of (2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol?
The InChIKey is OFWOMCSHJWTBGF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18O2/c1-4-10(12,8-11)7-5-6-9(2)3/h4,6,11-12H,1,5,7-8H2,2-3H3/t10-/m0/s1.
What are the key properties of (2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol?
(2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol is sourced from PubChem (CID 162867038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).