2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane

C14H22O4 — CID 175008248

IUPAC2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane
SMILESC1OC1CC(CC1CO1)C(CC1CO1)CC1CO1
InChIInChI=1S/C14H22O4/c1(11-5-15-11)9(2-12-6-16-12)10(3-13-7-17-13)4-14-8-18-14/h9-14H,1-8H2
InChIKeyDQVRCLPCNNUHQU-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.37
Rot. Bonds9

About 2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane

2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane (PubChem CID 175008248) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane.

Molecular Properties

Compound Name2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane
PubChem CID175008248
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane
SMILESC1OC1CC(CC1CO1)C(CC1CO1)CC1CO1
InChIInChI=1S/C14H22O4/c1(11-5-15-11)9(2-12-6-16-12)10(3-13-7-17-13)4-14-8-18-14/h9-14H,1-8H2
InChIKeyDQVRCLPCNNUHQU-UHFFFAOYSA-N
XLogP1.37
TPSA50.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylbutyl)oxirane
CID 534610
2-(oxiran-2-yl)ethane-1,1-diol
CID 156784168
2-(2,4-dimethylpentyl)oxirane
CID 14618591
2-(2-chloropropyl)oxirane
CID 22340851
2-(2-chloro-2-polanylethyl)oxirane
CID 175248511
2-(3-methoxy-2-methylpropyl)oxirane
CID 54363358
2-(2-methylhexyl)oxirane
CID 91241308
2-methyl-3-(oxiran-2-yl)propanal
CID 91185266
1-chloro-3-(oxiran-2-yl)propan-2-ol
CID 24755102
(2S)-1-[(2S)-oxiran-2-yl]but-3-en-2-ol
CID 10887864
1-(oxiran-2-yl)but-3-en-2-ol
CID 11051612
N-ethyl-2-methyl-3-(oxiran-2-yl)propan-1-amine
CID 175013546

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane?
The IUPAC name of 2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane (CID 175008248) is 2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane.
What is the SMILES notation for 2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane?
The canonical SMILES for 2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane is C1OC1CC(CC1CO1)C(CC1CO1)CC1CO1.
What is the InChIKey of 2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane?
The InChIKey is DQVRCLPCNNUHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1(11-5-15-11)9(2-12-6-16-12)10(3-13-7-17-13)4-14-8-18-14/h9-14H,1-8H2.
What are the key properties of 2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane?
2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane has a molecular weight of 254.33 g/mol, XLogP of 1.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane is sourced from PubChem (CID 175008248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).