2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol

C15H26O2 — CID 46209781

IUPAC2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol
SMILESC=CC1(C)CC/C=C(/C)CCC(C(C)(C)O)O1
InChIInChI=1S/C15H26O2/c1-6-15(5)11-7-8-12(2)9-10-13(17-15)14(3,4)16/h6,8,13,16H,1,7,9-11H2,2-5H3/b12-8-
InChIKeyLWYUSWLRBKNRLB-WQLSENKSSA-N
MW238.37 g/mol
LogP3.61
Rot. Bonds2

About 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol

2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol (PubChem CID 46209781) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol
PubChem CID46209781
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol
SMILESC=CC1(C)CC/C=C(/C)CCC(C(C)(C)O)O1
InChIInChI=1S/C15H26O2/c1-6-15(5)11-7-8-12(2)9-10-13(17-15)14(3,4)16/h6,8,13,16H,1,7,9-11H2,2-5H3/b12-8-
InChIKeyLWYUSWLRBKNRLB-WQLSENKSSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol?
The IUPAC name of 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol (CID 46209781) is 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol is C=CC1(C)CC/C=C(/C)CCC(C(C)(C)O)O1.
What is the InChIKey of 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol?
The InChIKey is LWYUSWLRBKNRLB-WQLSENKSSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(5)11-7-8-12(2)9-10-13(17-15)14(3,4)16/h6,8,13,16H,1,7,9-11H2,2-5H3/b12-8-.
What are the key properties of 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol?
2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol is sourced from PubChem (CID 46209781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).