(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol

C15H26O2 — CID 162672323

IUPAC(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol
SMILESC[C@@H]1/C=C/C(C)(C)[C@H](O)CC/C(CO)=C/CC1
InChIInChI=1S/C15H26O2/c1-12-5-4-6-13(11-16)7-8-14(17)15(2,3)10-9-12/h6,9-10,12,14,16-17H,4-5,7-8,11H2,1-3H3/b10-9+,13-6-/t12-,14+/m0/s1
InChIKeyDFRLFZUOMAKBMU-GOBQXNSQSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds1

About (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol

(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol (PubChem CID 162672323) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol.

Molecular Properties

Compound Name(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol
PubChem CID162672323
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol
SMILESC[C@@H]1/C=C/C(C)(C)[C@H](O)CC/C(CO)=C/CC1
InChIInChI=1S/C15H26O2/c1-12-5-4-6-13(11-16)7-8-14(17)15(2,3)10-9-12/h6,9-10,12,14,16-17H,4-5,7-8,11H2,1-3H3/b10-9+,13-6-/t12-,14+/m0/s1
InChIKeyDFRLFZUOMAKBMU-GOBQXNSQSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
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 (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol?
The IUPAC name of (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol (CID 162672323) is (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol.
What is the SMILES notation for (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol?
The canonical SMILES for (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol is C[C@@H]1/C=C/C(C)(C)[C@H](O)CC/C(CO)=C/CC1.
What is the InChIKey of (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol?
The InChIKey is DFRLFZUOMAKBMU-GOBQXNSQSA-N. The full InChI is InChI=1S/C15H26O2/c1-12-5-4-6-13(11-16)7-8-14(17)15(2,3)10-9-12/h6,9-10,12,14,16-17H,4-5,7-8,11H2,1-3H3/b10-9+,13-6-/t12-,14+/m0/s1.
What are the key properties of (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol?
(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol is sourced from PubChem (CID 162672323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).