4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane

C20H37+ — CID 163869089

IUPAC4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane
SMILESCCCCC(C)C1(C)[CH+]CC(C(C)C2C(C)[C@H]2C)CC1
InChIInChI=1S/C20H37/c1-7-8-9-14(2)20(6)12-10-18(11-13-20)17(5)19-15(3)16(19)4/h12,14-19H,7-11,13H2,1-6H3/q+1/t14?,15-,16?,17?,18?,19?,20?/m1/s1
InChIKeyPJFIYBIZQWRBGX-BWOYLUMYSA-N
MW277.52 g/mol
LogP6.36
Rot. Bonds6

About 4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane

4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane (PubChem CID 163869089) has the molecular formula C20H37+ and a molecular weight of 277.52 g/mol. Its IUPAC name is 4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane.

Molecular Properties

Compound Name4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane
PubChem CID163869089
Molecular FormulaC20H37+
Molecular Weight277.52 g/mol
Exact Mass277.29
IUPAC Name4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane
SMILESCCCCC(C)C1(C)[CH+]CC(C(C)C2C(C)[C@H]2C)CC1
InChIInChI=1S/C20H37/c1-7-8-9-14(2)20(6)12-10-18(11-13-20)17(5)19-15(3)16(19)4/h12,14-19H,7-11,13H2,1-6H3/q+1/t14?,15-,16?,17?,18?,19?,20?/m1/s1
InChIKeyPJFIYBIZQWRBGX-BWOYLUMYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.52
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane with MolForge

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Related Compounds

1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane
CID 123569728
1-hexan-2-ylcyclopropan-1-ol
CID 126975313
1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane
CID 91135731
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803
tributyl(methyl)phosphanium
CID 2760115
1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane
CID 123200605
(1-methyl-4-propan-2-ylcyclohexyl) hexanoate
CID 175603436
[1-(2-ethylhexyl)-4-propan-2-ylcyclohexyl]methanamine
CID 65425074
1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol
CID 156700086
1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
CID 65391623
1-butyl-2-methyl-1-octan-2-ylcyclohexane
CID 163529838
1,2,2,3-tetramethyl-1-pentan-2-ylcyclopentane
CID 123500106

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane?
The IUPAC name of 4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane (CID 163869089) is 4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane.
What is the SMILES notation for 4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane?
The canonical SMILES for 4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane is CCCCC(C)C1(C)[CH+]CC(C(C)C2C(C)[C@H]2C)CC1.
What is the InChIKey of 4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane?
The InChIKey is PJFIYBIZQWRBGX-BWOYLUMYSA-N. The full InChI is InChI=1S/C20H37/c1-7-8-9-14(2)20(6)12-10-18(11-13-20)17(5)19-15(3)16(19)4/h12,14-19H,7-11,13H2,1-6H3/q+1/t14?,15-,16?,17?,18?,19?,20?/m1/s1.
What are the key properties of 4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane?
4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane has a molecular weight of 277.52 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-2,3-dimethylcyclopropyl]ethyl]-1-hexan-2-yl-1-methylcyclohexane is sourced from PubChem (CID 163869089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).