(1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol

C15H24O2 — CID 643652

IUPAC(1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol
SMILESC/C1=C\CC/C(CO)=C\[C@H](O)C/C(C)=C/CC1
InChIInChI=1S/C15H24O2/c1-12-5-3-7-13(2)9-15(17)10-14(11-16)8-4-6-12/h6-7,10,15-17H,3-5,8-9,11H2,1-2H3/b12-6+,13-7+,14-10+/t15-/m1/s1
InChIKeyRCJTUBLQPQRESN-FJOWFKQPSA-N
MW236.35 g/mol
LogP3.12
Rot. Bonds1

About (1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol

(1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol (PubChem CID 643652) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name(1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol
PubChem CID643652
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol
SMILESC/C1=C\CC/C(CO)=C\[C@H](O)C/C(C)=C/CC1
InChIInChI=1S/C15H24O2/c1-12-5-3-7-13(2)9-15(17)10-14(11-16)8-4-6-12/h6-7,10,15-17H,3-5,8-9,11H2,1-2H3/b12-6+,13-7+,14-10+/t15-/m1/s1
InChIKeyRCJTUBLQPQRESN-FJOWFKQPSA-N
XLogP3.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.12
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,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol?
The IUPAC name of (1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol (CID 643652) is (1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol.
What is the SMILES notation for (1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol?
The canonical SMILES for (1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol is C/C1=C\CC/C(CO)=C\[C@H](O)C/C(C)=C/CC1.
What is the InChIKey of (1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol?
The InChIKey is RCJTUBLQPQRESN-FJOWFKQPSA-N. The full InChI is InChI=1S/C15H24O2/c1-12-5-3-7-13(2)9-15(17)10-14(11-16)8-4-6-12/h6-7,10,15-17H,3-5,8-9,11H2,1-2H3/b12-6+,13-7+,14-10+/t15-/m1/s1.
What are the key properties of (1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol?
(1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol is sourced from PubChem (CID 643652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).