(1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol

C15H26O2 — CID 139591588

IUPAC(1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol
SMILESC/C1=C\CC[C@H](C)/C=C/[C@H](C(C)(C)O)C[C@@H]1O
InChIInChI=1S/C15H26O2/c1-11-6-5-7-12(2)14(16)10-13(9-8-11)15(3,4)17/h7-9,11,13-14,16-17H,5-6,10H2,1-4H3/b9-8+,12-7+/t11-,13-,14-/m0/s1
InChIKeyDXVZUYIXOHXNBU-ALKIPFEHSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds1

About (1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol

(1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol (PubChem CID 139591588) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol.

Molecular Properties

Compound Name(1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol
PubChem CID139591588
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol
SMILESC/C1=C\CC[C@H](C)/C=C/[C@H](C(C)(C)O)C[C@@H]1O
InChIInChI=1S/C15H26O2/c1-11-6-5-7-12(2)14(16)10-13(9-8-11)15(3,4)17/h7-9,11,13-14,16-17H,5-6,10H2,1-4H3/b9-8+,12-7+/t11-,13-,14-/m0/s1
InChIKeyDXVZUYIXOHXNBU-ALKIPFEHSA-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 (1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol?
The IUPAC name of (1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol (CID 139591588) is (1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol.
What is the SMILES notation for (1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol?
The canonical SMILES for (1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol is C/C1=C\CC[C@H](C)/C=C/[C@H](C(C)(C)O)C[C@@H]1O.
What is the InChIKey of (1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol?
The InChIKey is DXVZUYIXOHXNBU-ALKIPFEHSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-6-5-7-12(2)14(16)10-13(9-8-11)15(3,4)17/h7-9,11,13-14,16-17H,5-6,10H2,1-4H3/b9-8+,12-7+/t11-,13-,14-/m0/s1.
What are the key properties of (1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol?
(1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-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 (1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol is sourced from PubChem (CID 139591588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).