(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol

C21H32O — CID 6443602

IUPAC(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol
SMILESCC1=[14C](/[14CH]=C/C(C)=C/C=C/C(C)=C/C(C)O)C(C)(C)CCC1
InChIInChI=1S/C21H32O/c1-16(9-7-10-17(2)15-19(4)22)12-13-20-18(3)11-8-14-21(20,5)6/h7,9-10,12-13,15,19,22H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,17-15+/i13+2,20+2
InChIKeyYCQUIVKPAPYSGM-WJWIUIBDSA-N
MW304.47 g/mol
LogP5.90
Rot. Bonds5

About (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol

(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol (PubChem CID 6443602) has the molecular formula C21H32O and a molecular weight of 304.47 g/mol. Its IUPAC name is (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol.

Molecular Properties

Compound Name(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol
PubChem CID6443602
Molecular FormulaC21H32O
Molecular Weight304.47 g/mol
Exact Mass304.25
IUPAC Name(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol
SMILESCC1=[14C](/[14CH]=C/C(C)=C/C=C/C(C)=C/C(C)O)C(C)(C)CCC1
InChIInChI=1S/C21H32O/c1-16(9-7-10-17(2)15-19(4)22)12-13-20-18(3)11-8-14-21(20,5)6/h7,9-10,12-13,15,19,22H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,17-15+/i13+2,20+2
InChIKeyYCQUIVKPAPYSGM-WJWIUIBDSA-N
XLogP5.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol?
The IUPAC name of (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol (CID 6443602) is (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol.
What is the SMILES notation for (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol?
The canonical SMILES for (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol is CC1=[14C](/[14CH]=C/C(C)=C/C=C/C(C)=C/C(C)O)C(C)(C)CCC1.
What is the InChIKey of (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol?
The InChIKey is YCQUIVKPAPYSGM-WJWIUIBDSA-N. The full InChI is InChI=1S/C21H32O/c1-16(9-7-10-17(2)15-19(4)22)12-13-20-18(3)11-8-14-21(20,5)6/h7,9-10,12-13,15,19,22H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,17-15+/i13+2,20+2.
What are the key properties of (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol?
(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol has a molecular weight of 304.47 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl(114C)cyclohexen-1-yl)(1014C)deca-3,5,7,9-tetraen-2-ol is sourced from PubChem (CID 6443602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).