8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde

C18H25NO2 — CID 174258276

IUPAC8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde
SMILESCC(C)C1Oc2c(cccc2C2CCCCC2)NC1C=O
InChIInChI=1S/C18H25NO2/c1-12(2)17-16(11-20)19-15-10-6-9-14(18(15)21-17)13-7-4-3-5-8-13/h6,9-13,16-17,19H,3-5,7-8H2,1-2H3
InChIKeySQUPABHUUVCCRY-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.13
Rot. Bonds3

About 8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde

8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde (PubChem CID 174258276) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde.

Molecular Properties

Compound Name8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde
PubChem CID174258276
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde
SMILESCC(C)C1Oc2c(cccc2C2CCCCC2)NC1C=O
InChIInChI=1S/C18H25NO2/c1-12(2)17-16(11-20)19-15-10-6-9-14(18(15)21-17)13-7-4-3-5-8-13/h6,9-13,16-17,19H,3-5,7-8H2,1-2H3
InChIKeySQUPABHUUVCCRY-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde?
The IUPAC name of 8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde (CID 174258276) is 8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde.
What is the SMILES notation for 8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde?
The canonical SMILES for 8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde is CC(C)C1Oc2c(cccc2C2CCCCC2)NC1C=O.
What is the InChIKey of 8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde?
The InChIKey is SQUPABHUUVCCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12(2)17-16(11-20)19-15-10-6-9-14(18(15)21-17)13-7-4-3-5-8-13/h6,9-13,16-17,19H,3-5,7-8H2,1-2H3.
What are the key properties of 8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde?
8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde has a molecular weight of 287.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carbaldehyde is sourced from PubChem (CID 174258276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).