(3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene

C15H22 — CID 162885437

IUPAC(3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene
SMILESC=C/C(C)=C/C=C/[C@H](C)/C=C\C=C(C)C
InChIInChI=1S/C15H22/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6-12,15H,1H2,2-5H3/b11-7-,12-8+,14-10+/t15-/m1/s1
InChIKeyDSZALOUXXLZEOV-JKCLIQRDSA-N
MW202.34 g/mol
LogP4.83
Rot. Bonds5

About (3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene

(3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene (PubChem CID 162885437) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene.

Molecular Properties

Compound Name(3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene
PubChem CID162885437
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene
SMILESC=C/C(C)=C/C=C/[C@H](C)/C=C\C=C(C)C
InChIInChI=1S/C15H22/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6-12,15H,1H2,2-5H3/b11-7-,12-8+,14-10+/t15-/m1/s1
InChIKeyDSZALOUXXLZEOV-JKCLIQRDSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene?
The IUPAC name of (3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene (CID 162885437) is (3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene.
What is the SMILES notation for (3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene?
The canonical SMILES for (3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene is C=C/C(C)=C/C=C/[C@H](C)/C=C\C=C(C)C.
What is the InChIKey of (3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene?
The InChIKey is DSZALOUXXLZEOV-JKCLIQRDSA-N. The full InChI is InChI=1S/C15H22/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6-12,15H,1H2,2-5H3/b11-7-,12-8+,14-10+/t15-/m1/s1.
What are the key properties of (3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene?
(3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene has a molecular weight of 202.34 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene is sourced from PubChem (CID 162885437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).