2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol

C20H32O2 — CID 56951444

IUPAC2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol
SMILESC/C1=C\C[C@@H](C2=CC[C@H](C(C)(C)O)OC2)CC/C(C)=C/CC1
InChIInChI=1S/C20H32O2/c1-15-6-5-7-16(2)9-11-17(10-8-15)18-12-13-19(22-14-18)20(3,4)21/h6,9,12,17,19,21H,5,7-8,10-11,13-14H2,1-4H3/b15-6+,16-9+/t17-,19+/m0/s1
InChIKeyQYYYSRKHZDULBG-ZGEIHLPNSA-N
MW304.47 g/mol
LogP4.95
Rot. Bonds2

About 2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol

2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol (PubChem CID 56951444) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol
PubChem CID56951444
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol
SMILESC/C1=C\C[C@@H](C2=CC[C@H](C(C)(C)O)OC2)CC/C(C)=C/CC1
InChIInChI=1S/C20H32O2/c1-15-6-5-7-16(2)9-11-17(10-8-15)18-12-13-19(22-14-18)20(3,4)21/h6,9,12,17,19,21H,5,7-8,10-11,13-14H2,1-4H3/b15-6+,16-9+/t17-,19+/m0/s1
InChIKeyQYYYSRKHZDULBG-ZGEIHLPNSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
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 2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol (CID 56951444) is 2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol is C/C1=C\C[C@@H](C2=CC[C@H](C(C)(C)O)OC2)CC/C(C)=C/CC1.
What is the InChIKey of 2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol?
The InChIKey is QYYYSRKHZDULBG-ZGEIHLPNSA-N. The full InChI is InChI=1S/C20H32O2/c1-15-6-5-7-16(2)9-11-17(10-8-15)18-12-13-19(22-14-18)20(3,4)21/h6,9,12,17,19,21H,5,7-8,10-11,13-14H2,1-4H3/b15-6+,16-9+/t17-,19+/m0/s1.
What are the key properties of 2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol?
2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol has a molecular weight of 304.47 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol is sourced from PubChem (CID 56951444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).