(E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene

C20H39Cl — CID 11130851

IUPAC(E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene
SMILESC/C(=C\CCl)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H39Cl/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
InChIKeyCRLKKSLIUQQHJN-PYDDKJGSSA-N
MW314.99 g/mol
LogP7.61
Rot. Bonds13

About (E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene

(E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene (PubChem CID 11130851) has the molecular formula C20H39Cl and a molecular weight of 314.99 g/mol. Its IUPAC name is (E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene.

Molecular Properties

Compound Name(E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene
PubChem CID11130851
Molecular FormulaC20H39Cl
Molecular Weight314.99 g/mol
Exact Mass314.27
IUPAC Name(E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene
SMILESC/C(=C\CCl)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H39Cl/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
InChIKeyCRLKKSLIUQQHJN-PYDDKJGSSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.99
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene?
The IUPAC name of (E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene (CID 11130851) is (E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene.
What is the SMILES notation for (E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene?
The canonical SMILES for (E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene is C/C(=C\CCl)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene?
The InChIKey is CRLKKSLIUQQHJN-PYDDKJGSSA-N. The full InChI is InChI=1S/C20H39Cl/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1.
What are the key properties of (E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene?
(E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene has a molecular weight of 314.99 g/mol, XLogP of 7.61, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R,11R)-1-chloro-3,7,11,15-tetramethylhexadec-2-ene is sourced from PubChem (CID 11130851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).