(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol

C15H26O2 — CID 10879194

IUPAC(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CC[C@@H]1OC1(C)C
InChIInChI=1S/C15H26O2/c1-12(6-5-7-13(2)10-11-16)8-9-14-15(3,4)17-14/h6,10,14,16H,5,7-9,11H2,1-4H3/b12-6+,13-10+/t14-/m0/s1
InChIKeyIVSNYPKSUNPKHJ-SCGYNDOXSA-N
MW238.37 g/mol
LogP3.61
Rot. Bonds7

About (2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol

(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol (PubChem CID 10879194) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol
PubChem CID10879194
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CC[C@@H]1OC1(C)C
InChIInChI=1S/C15H26O2/c1-12(6-5-7-13(2)10-11-16)8-9-14-15(3,4)17-14/h6,10,14,16H,5,7-9,11H2,1-4H3/b12-6+,13-10+/t14-/m0/s1
InChIKeyIVSNYPKSUNPKHJ-SCGYNDOXSA-N
XLogP3.61
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol (CID 10879194) is (2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol is C/C(=C\CO)CC/C=C(\C)CC[C@@H]1OC1(C)C.
What is the InChIKey of (2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol?
The InChIKey is IVSNYPKSUNPKHJ-SCGYNDOXSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(6-5-7-13(2)10-11-16)8-9-14-15(3,4)17-14/h6,10,14,16H,5,7-9,11H2,1-4H3/b12-6+,13-10+/t14-/m0/s1.
What are the key properties of (2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol?
(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol is sourced from PubChem (CID 10879194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).