(3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol

C10H16O2 — CID 162946531

IUPAC(3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol
SMILESC=C[C@@H](C(=C)C)[C@@H](O)C(=C)CO
InChIInChI=1S/C10H16O2/c1-5-9(7(2)3)10(12)8(4)6-11/h5,9-12H,1-2,4,6H2,3H3/t9-,10-/m0/s1
InChIKeyVYMSAJDGBJPIAV-UWVGGRQHSA-N
MW168.24 g/mol
LogP1.27
Rot. Bonds5

About (3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol

(3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol (PubChem CID 162946531) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol.

Molecular Properties

Compound Name(3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol
PubChem CID162946531
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol
SMILESC=C[C@@H](C(=C)C)[C@@H](O)C(=C)CO
InChIInChI=1S/C10H16O2/c1-5-9(7(2)3)10(12)8(4)6-11/h5,9-12H,1-2,4,6H2,3H3/t9-,10-/m0/s1
InChIKeyVYMSAJDGBJPIAV-UWVGGRQHSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.27
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

1,7-Octadien-3-ol, 2,6-dimethyl-
CID 90789
(3R,4S)-2,5-dimethyl-3-vinyl-hex-5-ene-2,4-diol
CID 5273756
4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 21630873
(-)-5-Methyl-2-(1-methylethenyl)-5-hexene-1,4-diol
CID 21575640
4-Ethyloct-1-en-3-ol
CID 93920
5-Methyl-1-hepten-4-ol
CID 145341
3-Methyloct-7-en-2-ol
CID 10351801
(2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol
CID 641670
(3S,4R)-3-ethenyl-4-hydroperoxy-2,5-dimethylhex-5-en-2-ol
CID 10058252
(3S,4S)-3-ethenyl-4-hydroperoxy-2,5-dimethylhex-5-en-2-ol
CID 101663663
(3R,4R)-3-ethenyl-2,5-dimethylhex-5-ene-2,4-diol
CID 162908416
(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 162974269

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol?
The IUPAC name of (3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol (CID 162946531) is (3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol.
What is the SMILES notation for (3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol?
The canonical SMILES for (3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol is C=C[C@@H](C(=C)C)[C@@H](O)C(=C)CO.
What is the InChIKey of (3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol?
The InChIKey is VYMSAJDGBJPIAV-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-9(7(2)3)10(12)8(4)6-11/h5,9-12H,1-2,4,6H2,3H3/t9-,10-/m0/s1.
What are the key properties of (3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol?
(3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol has a molecular weight of 168.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol is sourced from PubChem (CID 162946531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).