bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+)

C30H40FeP2-8 — CID 172907917

IUPACbis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+)
SMILESCC(C)[C@@H]1CC[C@@H](C(C)C)P1[c-]1[c-][c-][c-][c-]1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1[c-]1[c-][c-][c-][c-]1.[Fe+2]
InChIInChI=1S/2C15H20P.Fe/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;/h2*11-12,14-15H,9-10H2,1-4H3;/q2*-5;+2/t2*14-,15-;/m00./s1
InChIKeyCVLSUGBLOSASLJ-XRLMYZCVSA-N
MW518.44 g/mol
LogP7.11
Rot. Bonds6

About bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+)

bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+) (PubChem CID 172907917) has the molecular formula C30H40FeP2-8 and a molecular weight of 518.44 g/mol. Its IUPAC name is bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+).

Molecular Properties

Compound Namebis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+)
PubChem CID172907917
Molecular FormulaC30H40FeP2-8
Molecular Weight518.44 g/mol
Exact Mass518.20
IUPAC Namebis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+)
SMILESCC(C)[C@@H]1CC[C@@H](C(C)C)P1[c-]1[c-][c-][c-][c-]1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1[c-]1[c-][c-][c-][c-]1.[Fe+2]
InChIInChI=1S/2C15H20P.Fe/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;/h2*11-12,14-15H,9-10H2,1-4H3;/q2*-5;+2/t2*14-,15-;/m00./s1
InChIKeyCVLSUGBLOSASLJ-XRLMYZCVSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.44
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)
CID 162281940
2-methyl-1,5-di(propan-2-yl)phospholane
CID 146200751
(2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane
CID 172570767
(2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane
CID 90716246
(2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane
CID 166973641
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
CID 11643550
CID 11643550
propan-2-ylcyclopropane;hydroiodide
CID 162314014
4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane
CID 126543354
N-methyl-4-propan-2-ylcyclohexan-1-amine oxide
CID 163948904
(10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene
CID 166973646
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996

Frequently Asked Questions

What is the IUPAC name of bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+)?
The IUPAC name of bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+) (CID 172907917) is bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+).
What is the SMILES notation for bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+)?
The canonical SMILES for bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+) is CC(C)[C@@H]1CC[C@@H](C(C)C)P1[c-]1[c-][c-][c-][c-]1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1[c-]1[c-][c-][c-][c-]1.[Fe+2].
What is the InChIKey of bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+)?
The InChIKey is CVLSUGBLOSASLJ-XRLMYZCVSA-N. The full InChI is InChI=1S/2C15H20P.Fe/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;/h2*11-12,14-15H,9-10H2,1-4H3;/q2*-5;+2/t2*14-,15-;/m00./s1.
What are the key properties of bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+)?
bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+) has a molecular weight of 518.44 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+) is sourced from PubChem (CID 172907917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).