1-chloro-4-methyl-2-(propoxymethyl)pentane

C10H21ClO — CID 165446574

IUPAC1-chloro-4-methyl-2-(propoxymethyl)pentane
SMILESCCCOCC(CCl)CC(C)C
InChIInChI=1S/C10H21ClO/c1-4-5-12-8-10(7-11)6-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyOSNUPFONIHNLQR-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.31
Rot. Bonds7

About 1-chloro-4-methyl-2-(propoxymethyl)pentane

1-chloro-4-methyl-2-(propoxymethyl)pentane (PubChem CID 165446574) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 1-chloro-4-methyl-2-(propoxymethyl)pentane.

Molecular Properties

Compound Name1-chloro-4-methyl-2-(propoxymethyl)pentane
PubChem CID165446574
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name1-chloro-4-methyl-2-(propoxymethyl)pentane
SMILESCCCOCC(CCl)CC(C)C
InChIInChI=1S/C10H21ClO/c1-4-5-12-8-10(7-11)6-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyOSNUPFONIHNLQR-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 88668128
CID 88668128
4-(ethoxymethyl)-2-methylhexane
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4-(chloromethyl)-2-methyltridecane
CID 66035866
2-[2-(2-methylpropyl)nonoxy]ethanamine
CID 150465081
2-(chloromethyl)-4-methylpentan-1-amine
CID 138653523
1-(butoxymethoxy)-2-(fluoromethyl)-4-methylpentane
CID 126561839
4-bromo-2-methyl-1-propoxypentane
CID 79569585
1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277
CID 59269514
CID 59269514
2,3,4-trimethyl-1-propoxypentane
CID 121286105
1-butoxy-4-methyl-2-propan-2-yloxypentane
CID 138514678

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-2-(propoxymethyl)pentane?
The IUPAC name of 1-chloro-4-methyl-2-(propoxymethyl)pentane (CID 165446574) is 1-chloro-4-methyl-2-(propoxymethyl)pentane.
What is the SMILES notation for 1-chloro-4-methyl-2-(propoxymethyl)pentane?
The canonical SMILES for 1-chloro-4-methyl-2-(propoxymethyl)pentane is CCCOCC(CCl)CC(C)C.
What is the InChIKey of 1-chloro-4-methyl-2-(propoxymethyl)pentane?
The InChIKey is OSNUPFONIHNLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-4-5-12-8-10(7-11)6-9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-chloro-4-methyl-2-(propoxymethyl)pentane?
1-chloro-4-methyl-2-(propoxymethyl)pentane has a molecular weight of 192.73 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-2-(propoxymethyl)pentane is sourced from PubChem (CID 165446574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).