(1-chloro-2-methylundecan-2-yl)cyclopropane

C15H29Cl — CID 83150328

IUPAC(1-chloro-2-methylundecan-2-yl)cyclopropane
SMILESCCCCCCCCCC(C)(CCl)C1CC1
InChIInChI=1S/C15H29Cl/c1-3-4-5-6-7-8-9-12-15(2,13-16)14-10-11-14/h14H,3-13H2,1-2H3
InChIKeyRKCLRNYRMFMYJK-UHFFFAOYSA-N
MW244.85 g/mol
LogP5.78
Rot. Bonds10

About (1-chloro-2-methylundecan-2-yl)cyclopropane

(1-chloro-2-methylundecan-2-yl)cyclopropane (PubChem CID 83150328) has the molecular formula C15H29Cl and a molecular weight of 244.85 g/mol. Its IUPAC name is (1-chloro-2-methylundecan-2-yl)cyclopropane.

Molecular Properties

Compound Name(1-chloro-2-methylundecan-2-yl)cyclopropane
PubChem CID83150328
Molecular FormulaC15H29Cl
Molecular Weight244.85 g/mol
Exact Mass244.20
IUPAC Name(1-chloro-2-methylundecan-2-yl)cyclopropane
SMILESCCCCCCCCCC(C)(CCl)C1CC1
InChIInChI=1S/C15H29Cl/c1-3-4-5-6-7-8-9-12-15(2,13-16)14-10-11-14/h14H,3-13H2,1-2H3
InChIKeyRKCLRNYRMFMYJK-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.85
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 83150476
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CID 83160454
1,1-dicyclopropylheptan-1-ol
CID 170160591
3-(5-methyldodecan-5-yl)oxetane
CID 130337165
3-(5-methyldodecan-5-yl)piperidine
CID 170226915
2-cyclopropyl-2-methyltetradecanoic acid
CID 83147793
3-(5-methyldecan-5-yl)pyrrolidine
CID 139342176
1,1,1-trichlorononane
CID 6420387
[1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane
CID 106459706
2-chloro-2-methylheptadecane
CID 19869804
7-methylhexadecan-7-ylsilane
CID 173411878

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-methylundecan-2-yl)cyclopropane?
The IUPAC name of (1-chloro-2-methylundecan-2-yl)cyclopropane (CID 83150328) is (1-chloro-2-methylundecan-2-yl)cyclopropane.
What is the SMILES notation for (1-chloro-2-methylundecan-2-yl)cyclopropane?
The canonical SMILES for (1-chloro-2-methylundecan-2-yl)cyclopropane is CCCCCCCCCC(C)(CCl)C1CC1.
What is the InChIKey of (1-chloro-2-methylundecan-2-yl)cyclopropane?
The InChIKey is RKCLRNYRMFMYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29Cl/c1-3-4-5-6-7-8-9-12-15(2,13-16)14-10-11-14/h14H,3-13H2,1-2H3.
What are the key properties of (1-chloro-2-methylundecan-2-yl)cyclopropane?
(1-chloro-2-methylundecan-2-yl)cyclopropane has a molecular weight of 244.85 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-methylundecan-2-yl)cyclopropane is sourced from PubChem (CID 83150328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).