(2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol

C16H28O2 — CID 56847472

IUPAC(2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol
SMILESC=C[C@]1(C)CC[C@@](C)([C@@](C)(O)CCC=C(C)C)O1
InChIInChI=1S/C16H28O2/c1-7-14(4)11-12-16(6,18-14)15(5,17)10-8-9-13(2)3/h7,9,17H,1,8,10-12H2,2-6H3/t14-,15+,16+/m1/s1
InChIKeyHJAALFNAVJGZJV-PMPSAXMXSA-N
MW252.40 g/mol
LogP4.00
Rot. Bonds5

About (2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol

(2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol (PubChem CID 56847472) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol
PubChem CID56847472
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol
SMILESC=C[C@]1(C)CC[C@@](C)([C@@](C)(O)CCC=C(C)C)O1
InChIInChI=1S/C16H28O2/c1-7-14(4)11-12-16(6,18-14)15(5,17)10-8-9-13(2)3/h7,9,17H,1,8,10-12H2,2-6H3/t14-,15+,16+/m1/s1
InChIKeyHJAALFNAVJGZJV-PMPSAXMXSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
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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CID 91750490
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3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
(2S)-2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 163001933
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol
CID 11470214
[(1R,2R,3R,4R)-2,3,4-trihydroxy-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1-methylcyclohexyl] acetate
CID 15477698
3,7-dimethylocta-1,6-dien-3-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135367664
(2S)-2-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 10881524
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
3,7-dimethylocta-1,6-dien-3-ol;hexane
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol?
The IUPAC name of (2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol (CID 56847472) is (2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol.
What is the SMILES notation for (2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol?
The canonical SMILES for (2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol is C=C[C@]1(C)CC[C@@](C)([C@@](C)(O)CCC=C(C)C)O1.
What is the InChIKey of (2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol?
The InChIKey is HJAALFNAVJGZJV-PMPSAXMXSA-N. The full InChI is InChI=1S/C16H28O2/c1-7-14(4)11-12-16(6,18-14)15(5,17)10-8-9-13(2)3/h7,9,17H,1,8,10-12H2,2-6H3/t14-,15+,16+/m1/s1.
What are the key properties of (2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol?
(2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol has a molecular weight of 252.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol is sourced from PubChem (CID 56847472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).