2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium

C21H34O2Y — CID 177321429

IUPAC2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium
SMILESC=CC1CCC(C2CC=C(C3CCC(OC)CC3O)CC2)CC1.[Y]
InChIInChI=1S/C21H34O2.Y/c1-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(23-2)14-21(20)22;/h3,10,15-17,19-22H,1,4-9,11-14H2,2H3;
InChIKeyCCRQBQCGYTVZSH-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.88
Rot. Bonds4

About 2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium

2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium (PubChem CID 177321429) has the molecular formula C21H34O2Y and a molecular weight of 407.41 g/mol. Its IUPAC name is 2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium.

Molecular Properties

Compound Name2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium
PubChem CID177321429
Molecular FormulaC21H34O2Y
Molecular Weight407.41 g/mol
Exact Mass407.16
IUPAC Name2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium
SMILESC=CC1CCC(C2CC=C(C3CCC(OC)CC3O)CC2)CC1.[Y]
InChIInChI=1S/C21H34O2.Y/c1-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(23-2)14-21(20)22;/h3,10,15-17,19-22H,1,4-9,11-14H2,2H3;
InChIKeyCCRQBQCGYTVZSH-UHFFFAOYSA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane
CID 144631307
(3S,6S,8S,11S,12S,15R,16S,19S,21R)-8,19-dimethoxypentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene
CID 163080633
2-[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)cyclohexan-1-ol
CID 171812501
4-ethenyl-2-methoxycyclohexan-1-ol
CID 118659560
4-(4-ethenylcyclohexyl)cyclohexan-1-ol
CID 129130656
2-ethenyl-6-(4-ethenylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139847576
1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 58555460
1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane
CID 58555888
2-(4-ethenylcyclohexyl)-5-methoxyoxane
CID 89184529
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluorophenyl]phenyl]-2,3-difluoro-4-methoxybenzene
CID 67739029
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740116
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740069

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium?
The IUPAC name of 2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium (CID 177321429) is 2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium.
What is the SMILES notation for 2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium?
The canonical SMILES for 2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium is C=CC1CCC(C2CC=C(C3CCC(OC)CC3O)CC2)CC1.[Y].
What is the InChIKey of 2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium?
The InChIKey is CCRQBQCGYTVZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2.Y/c1-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(23-2)14-21(20)22;/h3,10,15-17,19-22H,1,4-9,11-14H2,2H3;.
What are the key properties of 2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium?
2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium has a molecular weight of 407.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium is sourced from PubChem (CID 177321429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).