1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane

C26H50 — CID 123372784

IUPAC1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane
SMILESCC1CCCCCCCCC(CC2(C)C(C)C2(C)C)CCCCCCC1
InChIInChI=1S/C26H50/c1-22-17-13-9-6-7-11-15-19-24(20-16-12-8-10-14-18-22)21-26(5)23(2)25(26,3)4/h22-24H,6-21H2,1-5H3
InChIKeyANAFYPUTACZQTO-UHFFFAOYSA-N
MW362.69 g/mol
LogP9.18
Rot. Bonds2

About 1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane

1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane (PubChem CID 123372784) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is 1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane.

Molecular Properties

Compound Name1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane
PubChem CID123372784
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Name1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane
SMILESCC1CCCCCCCCC(CC2(C)C(C)C2(C)C)CCCCCCC1
InChIInChI=1S/C26H50/c1-22-17-13-9-6-7-11-15-19-24(20-16-12-8-10-14-18-22)21-26(5)23(2)25(26,3)4/h22-24H,6-21H2,1-5H3
InChIKeyANAFYPUTACZQTO-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
methane;methylcyclohexane
CID 143705611
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
gallane;methylcyclohexane
CID 174461507
methylcyclopentane
CID 7296
1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane
CID 71050909
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938
methane;methylcyclohexane;propane
CID 143031585
1,1,5-trimethylcycloundecane
CID 161434950
ethane;methylcyclohexane;dihydrate
CID 144526565
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane?
The IUPAC name of 1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane (CID 123372784) is 1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane.
What is the SMILES notation for 1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane?
The canonical SMILES for 1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane is CC1CCCCCCCCC(CC2(C)C(C)C2(C)C)CCCCCCC1.
What is the InChIKey of 1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane?
The InChIKey is ANAFYPUTACZQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50/c1-22-17-13-9-6-7-11-15-19-24(20-16-12-8-10-14-18-22)21-26(5)23(2)25(26,3)4/h22-24H,6-21H2,1-5H3.
What are the key properties of 1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane?
1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane has a molecular weight of 362.69 g/mol, XLogP of 9.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[(1,2,2,3-tetramethylcyclopropyl)methyl]cycloheptadecane is sourced from PubChem (CID 123372784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).