(3S,4S)-3,4-dibutyl-1-phenylphospholane

C18H29P — CID 102356014

IUPAC(3S,4S)-3,4-dibutyl-1-phenylphospholane
SMILESCCCC[C@@H]1CP(c2ccccc2)C[C@H]1CCCC
InChIInChI=1S/C18H29P/c1-3-5-10-16-14-19(15-17(16)11-6-4-2)18-12-8-7-9-13-18/h7-9,12-13,16-17H,3-6,10-11,14-15H2,1-2H3/t16-,17-/m1/s1
InChIKeyQNBPRPNBASMWAO-IAGOWNOFSA-N
MW276.40 g/mol
LogP5.42
Rot. Bonds7

About (3S,4S)-3,4-dibutyl-1-phenylphospholane

(3S,4S)-3,4-dibutyl-1-phenylphospholane (PubChem CID 102356014) has the molecular formula C18H29P and a molecular weight of 276.40 g/mol. Its IUPAC name is (3S,4S)-3,4-dibutyl-1-phenylphospholane.

Molecular Properties

Compound Name(3S,4S)-3,4-dibutyl-1-phenylphospholane
PubChem CID102356014
Molecular FormulaC18H29P
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name(3S,4S)-3,4-dibutyl-1-phenylphospholane
SMILESCCCC[C@@H]1CP(c2ccccc2)C[C@H]1CCCC
InChIInChI=1S/C18H29P/c1-3-5-10-16-14-19(15-17(16)11-6-4-2)18-12-8-7-9-13-18/h7-9,12-13,16-17H,3-6,10-11,14-15H2,1-2H3/t16-,17-/m1/s1
InChIKeyQNBPRPNBASMWAO-IAGOWNOFSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-1-phenylphospholane
CID 11732644
(2-butylcyclopentyl)benzene
CID 20616758
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
N,N-dibenzyl-2-butylcyclopropan-1-amine
CID 86030986
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
(3R,4S)-4-butyl-3-phenyloxolan-2-one
CID 12063781
1-benzyl-2,5-dibutylphospholane
CID 140639792
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
[(4-butylcyclohexyl)-chloromethyl]benzene
CID 63429103
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol
CID 141296456

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dibutyl-1-phenylphospholane?
The IUPAC name of (3S,4S)-3,4-dibutyl-1-phenylphospholane (CID 102356014) is (3S,4S)-3,4-dibutyl-1-phenylphospholane.
What is the SMILES notation for (3S,4S)-3,4-dibutyl-1-phenylphospholane?
The canonical SMILES for (3S,4S)-3,4-dibutyl-1-phenylphospholane is CCCC[C@@H]1CP(c2ccccc2)C[C@H]1CCCC.
What is the InChIKey of (3S,4S)-3,4-dibutyl-1-phenylphospholane?
The InChIKey is QNBPRPNBASMWAO-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H29P/c1-3-5-10-16-14-19(15-17(16)11-6-4-2)18-12-8-7-9-13-18/h7-9,12-13,16-17H,3-6,10-11,14-15H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (3S,4S)-3,4-dibutyl-1-phenylphospholane?
(3S,4S)-3,4-dibutyl-1-phenylphospholane has a molecular weight of 276.40 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dibutyl-1-phenylphospholane is sourced from PubChem (CID 102356014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).