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

C15H26O2 — CID 76958197

IUPAC(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
SMILESC=C[C@]1(C)CC[C@H]([C@](C)(O)CCC=C(C)C)O1
InChIInChI=1S/C15H26O2/c1-6-14(4)11-9-13(17-14)15(5,16)10-7-8-12(2)3/h6,8,13,16H,1,7,9-11H2,2-5H3/t13-,14-,15-/m1/s1
InChIKeyOIVTVPOJCWXSIC-RBSFLKMASA-N
MW238.37 g/mol
LogP3.61
Rot. Bonds5

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

(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol (PubChem CID 76958197) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
PubChem CID76958197
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
SMILESC=C[C@]1(C)CC[C@H]([C@](C)(O)CCC=C(C)C)O1
InChIInChI=1S/C15H26O2/c1-6-14(4)11-9-13(17-14)15(5,16)10-7-8-12(2)3/h6,8,13,16H,1,7,9-11H2,2-5H3/t13-,14-,15-/m1/s1
InChIKeyOIVTVPOJCWXSIC-RBSFLKMASA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.61
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

Linalool oxide, cis-
CID 6428573
Linalool, oxide
CID 22310
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, trans-
CID 6432254
bisabolol oxide B
CID 117301
Incensole
CID 44583885
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel-
CID 6431475
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, cis-
CID 11116492
1,5,9-Trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
CID 73228441
(1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol
CID 118727265
(6E,10E,14E,17E)-18-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,10,15-tetramethyloctadeca-6,10,14,17-tetraene-2,3-diol
CID 122182476
Neroplomacrol
CID 46209781
(2S,3R,6S)-2,6-dimethyl-2-(4-methylpent-3-enyl)-6-vinyl-tetrahydropyran-3-ol
CID 129906296

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol?
The IUPAC name of (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol (CID 76958197) is (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol.
What is the SMILES notation for (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol?
The canonical SMILES for (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol is C=C[C@]1(C)CC[C@H]([C@](C)(O)CCC=C(C)C)O1.
What is the InChIKey of (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol?
The InChIKey is OIVTVPOJCWXSIC-RBSFLKMASA-N. The full InChI is InChI=1S/C15H26O2/c1-6-14(4)11-9-13(17-14)15(5,16)10-7-8-12(2)3/h6,8,13,16H,1,7,9-11H2,2-5H3/t13-,14-,15-/m1/s1.
What are the key properties of (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol?
(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol is sourced from PubChem (CID 76958197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).