methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene

C28H44O — CID 67924717

IUPACmethane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESC.C=CCOc1ccc(C2(C3CCC(CCC)CC3)CCCCC2)cc1CC=C
InChIInChI=1S/C27H40O.CH4/c1-4-10-22-12-14-24(15-13-22)27(18-8-7-9-19-27)25-16-17-26(28-20-6-3)23(21-25)11-5-2;/h5-6,16-17,21-22,24H,2-4,7-15,18-20H2,1H3;1H4
InChIKeyUBHTXHKCNZXSHG-UHFFFAOYSA-N
MW396.66 g/mol
LogP8.42
Rot. Bonds9

About methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene

methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 67924717) has the molecular formula C28H44O and a molecular weight of 396.66 g/mol. Its IUPAC name is methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Namemethane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID67924717
Molecular FormulaC28H44O
Molecular Weight396.66 g/mol
Exact Mass396.34
IUPAC Namemethane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESC.C=CCOc1ccc(C2(C3CCC(CCC)CC3)CCCCC2)cc1CC=C
InChIInChI=1S/C27H40O.CH4/c1-4-10-22-12-14-24(15-13-22)27(18-8-7-9-19-27)25-16-17-26(28-20-6-3)23(21-25)11-5-2;/h5-6,16-17,21-22,24H,2-4,7-15,18-20H2,1H3;1H4
InChIKeyUBHTXHKCNZXSHG-UHFFFAOYSA-N
XLogP8.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67893415
1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene
CID 54515841
N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454639
4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
CID 23509160
1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene
CID 22392468
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
4-[(E)-but-2-enoxy]-3-prop-2-enylaniline
CID 107898642
1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene
CID 54025317
1,1-bis(4-propylcyclohexyl)cyclohexane
CID 54232179
2-prop-2-enyl-4-(4-propylcyclohexyl)phenol
CID 57348500
5,5,6,6-tetrafluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 121476238
5-butyl-2-[4-prop-2-enoxy-3-(4-propylcyclohexyl)phenyl]-1,3-dioxane
CID 54492152

Frequently Asked Questions

What is the IUPAC name of methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene (CID 67924717) is methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene is C.C=CCOc1ccc(C2(C3CCC(CCC)CC3)CCCCC2)cc1CC=C.
What is the InChIKey of methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is UBHTXHKCNZXSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O.CH4/c1-4-10-22-12-14-24(15-13-22)27(18-8-7-9-19-27)25-16-17-26(28-20-6-3)23(21-25)11-5-2;/h5-6,16-17,21-22,24H,2-4,7-15,18-20H2,1H3;1H4.
What are the key properties of methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene?
methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 396.66 g/mol, XLogP of 8.42, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 67924717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).