(E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene

C15H29Cl — CID 13231274

IUPAC(E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene
SMILESCC(C)CCC[C@@H](C)C/C=C/[C@H](C)CCCl
InChIInChI=1S/C15H29Cl/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h6,10,13-15H,5,7-9,11-12H2,1-4H3/b10-6+/t14-,15+/m1/s1
InChIKeyIGSFDQADUZISNQ-PHGPQXGHSA-N
MW244.85 g/mol
LogP5.66
Rot. Bonds9

About (E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene

(E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene (PubChem CID 13231274) has the molecular formula C15H29Cl and a molecular weight of 244.85 g/mol. Its IUPAC name is (E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene.

Molecular Properties

Compound Name(E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene
PubChem CID13231274
Molecular FormulaC15H29Cl
Molecular Weight244.85 g/mol
Exact Mass244.20
IUPAC Name(E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene
SMILESCC(C)CCC[C@@H](C)C/C=C/[C@H](C)CCCl
InChIInChI=1S/C15H29Cl/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h6,10,13-15H,5,7-9,11-12H2,1-4H3/b10-6+/t14-,15+/m1/s1
InChIKeyIGSFDQADUZISNQ-PHGPQXGHSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.85
LogP ≤ 55.66
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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Related Compounds

3-Dodecene, 12-chloro-, (3E)-
CID 20561605
12-Chlorododec-3-ene
CID 54202562
3-Dodecene, 12-chloro-, (3Z)-
CID 88512409
Citronellyl chloride
CID 9815366
Phytyl chloride
CID 11130851
(z)-9-Tetradecenyl chloride
CID 13034419
1-(Chloromethyl)-4-prop-1-en-2-ylcyclohexene
CID 11105804
5-Pentadecene, 15-chloro-, (5Z)-
CID 6438010
7-Pentadecene, 15-chloro-, (7Z)-
CID 20841391
(1E)-1-chloro-4,8-dimethylnona-1,7-diene
CID 138971565
1-Chloro-2-(cyclohex-3-enyl)ethane
CID 12480857
3-(2-Chloroethyl)cyclohexene
CID 13866449

Frequently Asked Questions

What is the IUPAC name of (E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene?
The IUPAC name of (E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene (CID 13231274) is (E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene.
What is the SMILES notation for (E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene?
The canonical SMILES for (E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene is CC(C)CCC[C@@H](C)C/C=C/[C@H](C)CCCl.
What is the InChIKey of (E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene?
The InChIKey is IGSFDQADUZISNQ-PHGPQXGHSA-N. The full InChI is InChI=1S/C15H29Cl/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h6,10,13-15H,5,7-9,11-12H2,1-4H3/b10-6+/t14-,15+/m1/s1.
What are the key properties of (E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene?
(E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene has a molecular weight of 244.85 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene is sourced from PubChem (CID 13231274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).