2-chloro-3-ethyl-2-methylheptane

C10H21Cl — CID 141208623

IUPAC2-chloro-3-ethyl-2-methylheptane
SMILESCCCCC(CC)C(C)(C)Cl
InChIInChI=1S/C10H21Cl/c1-5-7-8-9(6-2)10(3,4)11/h9H,5-8H2,1-4H3
InChIKeySRVOSJOWVPIBKV-UHFFFAOYSA-N
MW176.73 g/mol
LogP4.22
Rot. Bonds5

About 2-chloro-3-ethyl-2-methylheptane

2-chloro-3-ethyl-2-methylheptane (PubChem CID 141208623) has the molecular formula C10H21Cl and a molecular weight of 176.73 g/mol. Its IUPAC name is 2-chloro-3-ethyl-2-methylheptane.

Molecular Properties

Compound Name2-chloro-3-ethyl-2-methylheptane
PubChem CID141208623
Molecular FormulaC10H21Cl
Molecular Weight176.73 g/mol
Exact Mass176.13
IUPAC Name2-chloro-3-ethyl-2-methylheptane
SMILESCCCCC(CC)C(C)(C)Cl
InChIInChI=1S/C10H21Cl/c1-5-7-8-9(6-2)10(3,4)11/h9H,5-8H2,1-4H3
InChIKeySRVOSJOWVPIBKV-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.73
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2,2-dimethylheptane
CID 20686447
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
azane;4-(2-chloropropan-2-yl)octadecan-1-amine
CID 174713785
3,3-dimethyl-4-propyloctane
CID 57491237
(4-ethyl-3-phosphanyloctan-3-yl)phosphane
CID 174710996
(3-ethyl-2-methylheptan-2-yl)oxysilane
CID 172694489
[3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane
CID 90111416
3-ethyl-2-methylundecan-2-ol
CID 91236413
3-ethyl-2-methylnonan-2-amine
CID 175488413
sodium;2-heptan-3-yl-2-methylpropanedioic acid;hydride
CID 175370933
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-2-methylheptane?
The IUPAC name of 2-chloro-3-ethyl-2-methylheptane (CID 141208623) is 2-chloro-3-ethyl-2-methylheptane.
What is the SMILES notation for 2-chloro-3-ethyl-2-methylheptane?
The canonical SMILES for 2-chloro-3-ethyl-2-methylheptane is CCCCC(CC)C(C)(C)Cl.
What is the InChIKey of 2-chloro-3-ethyl-2-methylheptane?
The InChIKey is SRVOSJOWVPIBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Cl/c1-5-7-8-9(6-2)10(3,4)11/h9H,5-8H2,1-4H3.
What are the key properties of 2-chloro-3-ethyl-2-methylheptane?
2-chloro-3-ethyl-2-methylheptane has a molecular weight of 176.73 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-2-methylheptane is sourced from PubChem (CID 141208623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).