(2S)-2-(3-chloro-2-methylpropyl)oxolane

C8H15ClO — CID 165447123

IUPAC(2S)-2-(3-chloro-2-methylpropyl)oxolane
SMILESCC(CCl)C[C@@H]1CCCO1
InChIInChI=1S/C8H15ClO/c1-7(6-9)5-8-3-2-4-10-8/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyHUTPCPLNSMSGGY-MQWKRIRWSA-N
MW162.66 g/mol
LogP2.43
Rot. Bonds3

About (2S)-2-(3-chloro-2-methylpropyl)oxolane

(2S)-2-(3-chloro-2-methylpropyl)oxolane (PubChem CID 165447123) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is (2S)-2-(3-chloro-2-methylpropyl)oxolane.

Molecular Properties

Compound Name(2S)-2-(3-chloro-2-methylpropyl)oxolane
PubChem CID165447123
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name(2S)-2-(3-chloro-2-methylpropyl)oxolane
SMILESCC(CCl)C[C@@H]1CCCO1
InChIInChI=1S/C8H15ClO/c1-7(6-9)5-8-3-2-4-10-8/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyHUTPCPLNSMSGGY-MQWKRIRWSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.43
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

2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
2-[3-(chloromethyl)-4-methylpentyl]oxolane
CID 66033878
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine
CID 114899221
(2R)-2-(2-methylpropyl)oxane
CID 58653197
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65037518
2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane
CID 54185574
O-[1-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104758
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
2-(2,3-dimethylbutyl)oxane
CID 167069415

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-2-methylpropyl)oxolane?
The IUPAC name of (2S)-2-(3-chloro-2-methylpropyl)oxolane (CID 165447123) is (2S)-2-(3-chloro-2-methylpropyl)oxolane.
What is the SMILES notation for (2S)-2-(3-chloro-2-methylpropyl)oxolane?
The canonical SMILES for (2S)-2-(3-chloro-2-methylpropyl)oxolane is CC(CCl)C[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-(3-chloro-2-methylpropyl)oxolane?
The InChIKey is HUTPCPLNSMSGGY-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H15ClO/c1-7(6-9)5-8-3-2-4-10-8/h7-8H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of (2S)-2-(3-chloro-2-methylpropyl)oxolane?
(2S)-2-(3-chloro-2-methylpropyl)oxolane has a molecular weight of 162.66 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-2-methylpropyl)oxolane is sourced from PubChem (CID 165447123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).