oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate

C15H27NO3 — CID 91201551

IUPACoxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(C)C)C(NC(=O)OC1CCOCC1)C(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)12(5)14(11(3)4)16-15(17)19-13-6-8-18-9-7-13/h10-11,13-14H,5-9H2,1-4H3,(H,16,17)
InChIKeyTYAGIBMUQGILRM-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.13
Rot. Bonds5

About oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate

oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate (PubChem CID 91201551) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
PubChem CID91201551
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameoxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(C)C)C(NC(=O)OC1CCOCC1)C(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)12(5)14(11(3)4)16-15(17)19-13-6-8-18-9-7-13/h10-11,13-14H,5-9H2,1-4H3,(H,16,17)
InChIKeyTYAGIBMUQGILRM-UHFFFAOYSA-N
XLogP3.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate?
The IUPAC name of oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate (CID 91201551) is oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate.
What is the SMILES notation for oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate?
The canonical SMILES for oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate is C=C(C(C)C)C(NC(=O)OC1CCOCC1)C(C)C.
What is the InChIKey of oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate?
The InChIKey is TYAGIBMUQGILRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(2)12(5)14(11(3)4)16-15(17)19-13-6-8-18-9-7-13/h10-11,13-14H,5-9H2,1-4H3,(H,16,17).
What are the key properties of oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate?
oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate has a molecular weight of 269.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate is sourced from PubChem (CID 91201551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).