(8-chloro-9-methyldecan-3-yl)cyclopropane

C14H27Cl — CID 139442668

IUPAC(8-chloro-9-methyldecan-3-yl)cyclopropane
SMILESCCC(CCCCC(Cl)C(C)C)C1CC1
InChIInChI=1S/C14H27Cl/c1-4-12(13-9-10-13)7-5-6-8-14(15)11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyKTWZEYAJYYRCDR-UHFFFAOYSA-N
MW230.82 g/mol
LogP5.25
Rot. Bonds8

About (8-chloro-9-methyldecan-3-yl)cyclopropane

(8-chloro-9-methyldecan-3-yl)cyclopropane (PubChem CID 139442668) has the molecular formula C14H27Cl and a molecular weight of 230.82 g/mol. Its IUPAC name is (8-chloro-9-methyldecan-3-yl)cyclopropane.

Molecular Properties

Compound Name(8-chloro-9-methyldecan-3-yl)cyclopropane
PubChem CID139442668
Molecular FormulaC14H27Cl
Molecular Weight230.82 g/mol
Exact Mass230.18
IUPAC Name(8-chloro-9-methyldecan-3-yl)cyclopropane
SMILESCCC(CCCCC(Cl)C(C)C)C1CC1
InChIInChI=1S/C14H27Cl/c1-4-12(13-9-10-13)7-5-6-8-14(15)11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyKTWZEYAJYYRCDR-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.82
LogP ≤ 55.25
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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Frequently Asked Questions

What is the IUPAC name of (8-chloro-9-methyldecan-3-yl)cyclopropane?
The IUPAC name of (8-chloro-9-methyldecan-3-yl)cyclopropane (CID 139442668) is (8-chloro-9-methyldecan-3-yl)cyclopropane.
What is the SMILES notation for (8-chloro-9-methyldecan-3-yl)cyclopropane?
The canonical SMILES for (8-chloro-9-methyldecan-3-yl)cyclopropane is CCC(CCCCC(Cl)C(C)C)C1CC1.
What is the InChIKey of (8-chloro-9-methyldecan-3-yl)cyclopropane?
The InChIKey is KTWZEYAJYYRCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Cl/c1-4-12(13-9-10-13)7-5-6-8-14(15)11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of (8-chloro-9-methyldecan-3-yl)cyclopropane?
(8-chloro-9-methyldecan-3-yl)cyclopropane has a molecular weight of 230.82 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-9-methyldecan-3-yl)cyclopropane is sourced from PubChem (CID 139442668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).