1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene

C19H31OP — CID 123358674

IUPAC1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene
SMILESO=P(C1=CCCCC1)(C1=CCCCCC1)C1CCCCC1
InChIInChI=1S/C19H31OP/c20-21(18-13-7-3-8-14-18,19-15-9-4-10-16-19)17-11-5-1-2-6-12-17/h11,13,19H,1-10,12,14-16H2
InChIKeyBJQPCNSWHZCIFP-UHFFFAOYSA-N
MW306.43 g/mol
LogP6.99
Rot. Bonds3

About 1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene

1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene (PubChem CID 123358674) has the molecular formula C19H31OP and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene.

Molecular Properties

Compound Name1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene
PubChem CID123358674
Molecular FormulaC19H31OP
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene
SMILESO=P(C1=CCCCC1)(C1=CCCCCC1)C1CCCCC1
InChIInChI=1S/C19H31OP/c20-21(18-13-7-3-8-14-18,19-15-9-4-10-16-19)17-11-5-1-2-6-12-17/h11,13,19H,1-10,12,14-16H2
InChIKeyBJQPCNSWHZCIFP-UHFFFAOYSA-N
XLogP6.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene
CID 129044340
cyclohexen-1-yl(ethyl)phosphinic acid
CID 23418944
1-[cyclohexen-1-yl(cyclohex-2-en-1-yloxy)phosphoryl]cyclohexene
CID 123660151
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
1-[cyclohexyl-(4-fluorophenyl)phosphoryl]-4-fluorobenzene
CID 178181669
(1Z)-bicyclo[6.2.1]undec-1-ene
CID 149112398
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
tricyclo[9.7.0.02,10]octadeca-1(18),2-diene
CID 158410257
1,2,5,6,7,8,9,9a-octahydrocyclopenta[8]annulen-4-one
CID 11073761

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene?
The IUPAC name of 1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene (CID 123358674) is 1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene.
What is the SMILES notation for 1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene?
The canonical SMILES for 1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene is O=P(C1=CCCCC1)(C1=CCCCCC1)C1CCCCC1.
What is the InChIKey of 1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene?
The InChIKey is BJQPCNSWHZCIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31OP/c20-21(18-13-7-3-8-14-18,19-15-9-4-10-16-19)17-11-5-1-2-6-12-17/h11,13,19H,1-10,12,14-16H2.
What are the key properties of 1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene?
1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene has a molecular weight of 306.43 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene is sourced from PubChem (CID 123358674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).