2-(5-chloro-4-methylheptyl)oxolane

C12H23ClO — CID 65165898

IUPAC2-(5-chloro-4-methylheptyl)oxolane
SMILESCCC(Cl)C(C)CCCC1CCCO1
InChIInChI=1S/C12H23ClO/c1-3-12(13)10(2)6-4-7-11-8-5-9-14-11/h10-12H,3-9H2,1-2H3
InChIKeyYWULUCMBULBVDC-UHFFFAOYSA-N
MW218.77 g/mol
LogP3.99
Rot. Bonds6

About 2-(5-chloro-4-methylheptyl)oxolane

2-(5-chloro-4-methylheptyl)oxolane (PubChem CID 65165898) has the molecular formula C12H23ClO and a molecular weight of 218.77 g/mol. Its IUPAC name is 2-(5-chloro-4-methylheptyl)oxolane.

Molecular Properties

Compound Name2-(5-chloro-4-methylheptyl)oxolane
PubChem CID65165898
Molecular FormulaC12H23ClO
Molecular Weight218.77 g/mol
Exact Mass218.14
IUPAC Name2-(5-chloro-4-methylheptyl)oxolane
SMILESCCC(Cl)C(C)CCCC1CCCO1
InChIInChI=1S/C12H23ClO/c1-3-12(13)10(2)6-4-7-11-8-5-9-14-11/h10-12H,3-9H2,1-2H3
InChIKeyYWULUCMBULBVDC-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
2-(4-chloro-4-cyclopropylbutyl)oxolane
CID 64506432
2-[4-(chloromethyl)hexyl]oxolane
CID 66034557
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
[5-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105219692
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
2-(5-bromoheptyl)oxolane
CID 65166211
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methylheptyl)oxolane?
The IUPAC name of 2-(5-chloro-4-methylheptyl)oxolane (CID 65165898) is 2-(5-chloro-4-methylheptyl)oxolane.
What is the SMILES notation for 2-(5-chloro-4-methylheptyl)oxolane?
The canonical SMILES for 2-(5-chloro-4-methylheptyl)oxolane is CCC(Cl)C(C)CCCC1CCCO1.
What is the InChIKey of 2-(5-chloro-4-methylheptyl)oxolane?
The InChIKey is YWULUCMBULBVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO/c1-3-12(13)10(2)6-4-7-11-8-5-9-14-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-(5-chloro-4-methylheptyl)oxolane?
2-(5-chloro-4-methylheptyl)oxolane has a molecular weight of 218.77 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methylheptyl)oxolane is sourced from PubChem (CID 65165898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).