1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane

C20H38 — CID 123437991

IUPAC1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane
SMILESCC1CC1CC1(C)C(C)C(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C20H38/c1-13-11-16(13)12-20(10)15(3)14(2)17(4,5)18(6,7)19(20,8)9/h13-16H,11-12H2,1-10H3
InChIKeyWPKZTVPEITVZNR-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.40
Rot. Bonds2

About 1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane

1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane (PubChem CID 123437991) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane
PubChem CID123437991
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane
SMILESCC1CC1CC1(C)C(C)C(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C20H38/c1-13-11-16(13)12-20(10)15(3)14(2)17(4,5)18(6,7)19(20,8)9/h13-16H,11-12H2,1-10H3
InChIKeyWPKZTVPEITVZNR-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Carane
CID 79043
1,3,5-Trimethyl-2-octadecylcyclohexane
CID 41379
1-Isopropyl-1,4,5-trimethylcyclohexane
CID 252330
Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-
CID 12302439
1,1,3,4-Tetramethylcyclohexane
CID 15102861
1,4-Dimethyl-3-n-octadecylcyclohexane
CID 282770
1,2-Dimethyl-3-pentyl-4-propylcyclohexane
CID 566238
1,2-Diethyl-1-hexylcyclohexane
CID 46898843
1,2,3,4,5,6-Hexaethylcyclohexane
CID 519497
cis-Carane
CID 12302437
11-(2,5-Dimethylcyclohexyl)heneicosane
CID 296569
4-Methylspiro[2.5]octane
CID 15329636

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane (CID 123437991) is 1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane is CC1CC1CC1(C)C(C)C(C)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane?
The InChIKey is WPKZTVPEITVZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-13-11-16(13)12-20(10)15(3)14(2)17(4,5)18(6,7)19(20,8)9/h13-16H,11-12H2,1-10H3.
What are the key properties of 1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane?
1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane has a molecular weight of 278.52 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,5,6-nonamethyl-4-[(2-methylcyclopropyl)methyl]cyclohexane is sourced from PubChem (CID 123437991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).