4-(4-hexylcyclohexen-1-yl)morpholine

C16H29NO — CID 13479957

IUPAC4-(4-hexylcyclohexen-1-yl)morpholine
SMILESCCCCCCC1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18-14-12-17/h9,15H,2-8,10-14H2,1H3
InChIKeyFPYIKLQMCUZGCR-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.97
Rot. Bonds6

About 4-(4-hexylcyclohexen-1-yl)morpholine

4-(4-hexylcyclohexen-1-yl)morpholine (PubChem CID 13479957) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4-(4-hexylcyclohexen-1-yl)morpholine.

Molecular Properties

Compound Name4-(4-hexylcyclohexen-1-yl)morpholine
PubChem CID13479957
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4-(4-hexylcyclohexen-1-yl)morpholine
SMILESCCCCCCC1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18-14-12-17/h9,15H,2-8,10-14H2,1H3
InChIKeyFPYIKLQMCUZGCR-UHFFFAOYSA-N
XLogP3.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hexylcyclohexen-1-yl)morpholine?
The IUPAC name of 4-(4-hexylcyclohexen-1-yl)morpholine (CID 13479957) is 4-(4-hexylcyclohexen-1-yl)morpholine.
What is the SMILES notation for 4-(4-hexylcyclohexen-1-yl)morpholine?
The canonical SMILES for 4-(4-hexylcyclohexen-1-yl)morpholine is CCCCCCC1CC=C(N2CCOCC2)CC1.
What is the InChIKey of 4-(4-hexylcyclohexen-1-yl)morpholine?
The InChIKey is FPYIKLQMCUZGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18-14-12-17/h9,15H,2-8,10-14H2,1H3.
What are the key properties of 4-(4-hexylcyclohexen-1-yl)morpholine?
4-(4-hexylcyclohexen-1-yl)morpholine has a molecular weight of 251.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexylcyclohexen-1-yl)morpholine is sourced from PubChem (CID 13479957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).