(3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene

C17H25Cl — CID 144523757

IUPAC(3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene
SMILESC=C/C(Cl)=C\CC=CC(C)C[C@@H](C)C(=C)/C=C\C
InChIInChI=1S/C17H25Cl/c1-6-10-15(4)16(5)13-14(3)11-8-9-12-17(18)7-2/h6-8,10-12,14,16H,2,4,9,13H2,1,3,5H3/b10-6-,11-8?,17-12+/t14?,16-/m1/s1
InChIKeyUDRSIJWLOFVZJB-UDIISGQTSA-N
MW264.84 g/mol
LogP6.04
Rot. Bonds8

About (3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene

(3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene (PubChem CID 144523757) has the molecular formula C17H25Cl and a molecular weight of 264.84 g/mol. Its IUPAC name is (3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene.

Molecular Properties

Compound Name(3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene
PubChem CID144523757
Molecular FormulaC17H25Cl
Molecular Weight264.84 g/mol
Exact Mass264.16
IUPAC Name(3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene
SMILESC=C/C(Cl)=C\CC=CC(C)C[C@@H](C)C(=C)/C=C\C
InChIInChI=1S/C17H25Cl/c1-6-10-15(4)16(5)13-14(3)11-8-9-12-17(18)7-2/h6-8,10-12,14,16H,2,4,9,13H2,1,3,5H3/b10-6-,11-8?,17-12+/t14?,16-/m1/s1
InChIKeyUDRSIJWLOFVZJB-UDIISGQTSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.84
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene?
The IUPAC name of (3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene (CID 144523757) is (3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene.
What is the SMILES notation for (3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene?
The canonical SMILES for (3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene is C=C/C(Cl)=C\CC=CC(C)C[C@@H](C)C(=C)/C=C\C.
What is the InChIKey of (3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene?
The InChIKey is UDRSIJWLOFVZJB-UDIISGQTSA-N. The full InChI is InChI=1S/C17H25Cl/c1-6-10-15(4)16(5)13-14(3)11-8-9-12-17(18)7-2/h6-8,10-12,14,16H,2,4,9,13H2,1,3,5H3/b10-6-,11-8?,17-12+/t14?,16-/m1/s1.
What are the key properties of (3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene?
(3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene has a molecular weight of 264.84 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,10R,12Z)-3-chloro-8,10-dimethyl-11-methylidenetetradeca-1,3,6,12-tetraene is sourced from PubChem (CID 144523757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).