(3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol

C15H26O — CID 68519760

IUPAC(3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol
SMILESC/C1=C/C=C/[C@@H](C)CC[C@@H](C(C)C)C(O)C1
InChIInChI=1S/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h5-7,11-12,14-16H,8-10H2,1-4H3/b6-5+,13-7-/t12-,14+,15?/m1/s1
InChIKeyYMFKYDZOEXRTSX-GYGHJMAUSA-N
MW222.37 g/mol
LogP3.94
Rot. Bonds1

About (3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol

(3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol (PubChem CID 68519760) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol
PubChem CID68519760
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol
SMILESC/C1=C/C=C/[C@@H](C)CC[C@@H](C(C)C)C(O)C1
InChIInChI=1S/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h5-7,11-12,14-16H,8-10H2,1-4H3/b6-5+,13-7-/t12-,14+,15?/m1/s1
InChIKeyYMFKYDZOEXRTSX-GYGHJMAUSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol?
The IUPAC name of (3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol (CID 68519760) is (3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol.
What is the SMILES notation for (3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol?
The canonical SMILES for (3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol is C/C1=C/C=C/[C@@H](C)CC[C@@H](C(C)C)C(O)C1.
What is the InChIKey of (3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol?
The InChIKey is YMFKYDZOEXRTSX-GYGHJMAUSA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h5-7,11-12,14-16H,8-10H2,1-4H3/b6-5+,13-7-/t12-,14+,15?/m1/s1.
What are the key properties of (3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol?
(3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol is sourced from PubChem (CID 68519760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).