(2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane

C14H23OP — CID 139156126

IUPAC(2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane
SMILESCCC[C@H]1O[P@]1C1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C14H23OP/c1-7-8-13-15-16(13)14(6)11(4)9(2)10(3)12(14)5/h13H,7-8H2,1-6H3/t13-,16-/m0/s1
InChIKeyRVNWJQKXDWFCTI-BBRMVZONSA-N
MW238.31 g/mol
LogP4.98
Rot. Bonds3

About (2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane

(2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane (PubChem CID 139156126) has the molecular formula C14H23OP and a molecular weight of 238.31 g/mol. Its IUPAC name is (2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane.

Molecular Properties

Compound Name(2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane
PubChem CID139156126
Molecular FormulaC14H23OP
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane
SMILESCCC[C@H]1O[P@]1C1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C14H23OP/c1-7-8-13-15-16(13)14(6)11(4)9(2)10(3)12(14)5/h13H,7-8H2,1-6H3/t13-,16-/m0/s1
InChIKeyRVNWJQKXDWFCTI-BBRMVZONSA-N
XLogP4.98
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5,5-trimethyl-4-propylcyclopentene
CID 90979763
(1R,4S,5R)-2,2,6-trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-ene
CID 7077774
iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
CID 134901599
[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol
CID 14959485
(2R,3R)-2-methyl-2-phenyl-3-propyloxirane
CID 15441965
1-(5-methylfuran-2-yl)-2-propylcyclopropan-1-ol
CID 79332953
1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene
CID 160680879
1-methyl-3-propylcyclobutene
CID 14434507
(5S)-3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
CID 58667247
1,3-bis(2,6-dimethylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-1,3,2-diazaphosphole
CID 102083910
(3R)-8a-methyl-3-propyl-2,3-dihydroazulen-1-one
CID 134993389
2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 54083505

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane?
The IUPAC name of (2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane (CID 139156126) is (2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane.
What is the SMILES notation for (2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane?
The canonical SMILES for (2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane is CCC[C@H]1O[P@]1C1(C)C(C)=C(C)C(C)=C1C.
What is the InChIKey of (2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane?
The InChIKey is RVNWJQKXDWFCTI-BBRMVZONSA-N. The full InChI is InChI=1S/C14H23OP/c1-7-8-13-15-16(13)14(6)11(4)9(2)10(3)12(14)5/h13H,7-8H2,1-6H3/t13-,16-/m0/s1.
What are the key properties of (2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane?
(2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane has a molecular weight of 238.31 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3-propyloxaphosphirane is sourced from PubChem (CID 139156126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).