butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol)

C50H72I2O4V — CID 161168662

IUPACbutane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol)
SMILESCC.CC(C)C1(c2ccc(O)cc2)CCC(C)(c2ccc(O)cc2)CC1.CC(C)C1(c2ccc(O)cc2)CCC(C)(c2ccc(O)cc2)CC1.CCCC.I[V]I
InChIInChI=1S/2C22H28O2.C4H10.C2H6.2HI.V/c2*1-16(2)22(18-6-10-20(24)11-7-18)14-12-21(3,13-15-22)17-4-8-19(23)9-5-17;1-3-4-2;1-2;;;/h2*4-11,16,23-24H,12-15H2,1-3H3;3-4H2,1-2H3;1-2H3;2*1H;/q;;;;;;+2/p-2
InChIKeyUQWUGZFIVZJJMU-UHFFFAOYSA-L
MW1041.87 g/mol
LogP15.65
Rot. Bonds7

About butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol)

butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol) (PubChem CID 161168662) has the molecular formula C50H72I2O4V and a molecular weight of 1041.87 g/mol. Its IUPAC name is butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol).

Molecular Properties

Compound Namebutane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol)
PubChem CID161168662
Molecular FormulaC50H72I2O4V
Molecular Weight1041.87 g/mol
Exact Mass1041.30
IUPAC Namebutane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol)
SMILESCC.CC(C)C1(c2ccc(O)cc2)CCC(C)(c2ccc(O)cc2)CC1.CC(C)C1(c2ccc(O)cc2)CCC(C)(c2ccc(O)cc2)CC1.CCCC.I[V]I
InChIInChI=1S/2C22H28O2.C4H10.C2H6.2HI.V/c2*1-16(2)22(18-6-10-20(24)11-7-18)14-12-21(3,13-15-22)17-4-8-19(23)9-5-17;1-3-4-2;1-2;;;/h2*4-11,16,23-24H,12-15H2,1-3H3;3-4H2,1-2H3;1-2H3;2*1H;/q;;;;;;+2/p-2
InChIKeyUQWUGZFIVZJJMU-UHFFFAOYSA-L
XLogP15.65
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.87
LogP ≤ 515.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
CID 144873811
4-[1-(1-methylsulfanylethyl)cyclopropyl]phenol
CID 115026103
1-(4-hydroxyphenyl)ethanone;4-(1-methylcyclopropyl)phenol
CID 161486309
4-[1-(difluoromethyl)cyclopropyl]phenol
CID 84718814
4-[4-(hydroxymethyl)-1-methylcyclohexyl]phenol
CID 166817509
4-[1-[1-(2-propylphenyl)ethyl]cyclobutyl]phenol
CID 70666036
1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine
CID 118201166
(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine
CID 89490013
1-[4-(1-methylcyclopropyl)phenyl]ethanamine
CID 117047647
2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine
CID 174659940
ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol
CID 143787682
4-(2-propan-2-ylpyrrolidin-2-yl)phenol
CID 115058626

Frequently Asked Questions

What is the IUPAC name of butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol)?
The IUPAC name of butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol) (CID 161168662) is butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol).
What is the SMILES notation for butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol)?
The canonical SMILES for butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol) is CC.CC(C)C1(c2ccc(O)cc2)CCC(C)(c2ccc(O)cc2)CC1.CC(C)C1(c2ccc(O)cc2)CCC(C)(c2ccc(O)cc2)CC1.CCCC.I[V]I.
What is the InChIKey of butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol)?
The InChIKey is UQWUGZFIVZJJMU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H28O2.C4H10.C2H6.2HI.V/c2*1-16(2)22(18-6-10-20(24)11-7-18)14-12-21(3,13-15-22)17-4-8-19(23)9-5-17;1-3-4-2;1-2;;;/h2*4-11,16,23-24H,12-15H2,1-3H3;3-4H2,1-2H3;1-2H3;2*1H;/q;;;;;;+2/p-2.
What are the key properties of butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol)?
butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol) has a molecular weight of 1041.87 g/mol, XLogP of 15.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol) is sourced from PubChem (CID 161168662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).