(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane

C38H74 — CID 123633331

IUPAC(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
SMILESCC(C)C(C1CCCCCCCCCCCCCCCC1)C1CCCCCCCCCCCCCCCC1
InChIInChI=1S/C38H74/c1-35(2)38(36-31-27-23-19-15-11-7-3-4-8-12-16-20-24-28-32-36)37-33-29-25-21-17-13-9-5-6-10-14-18-22-26-30-34-37/h35-38H,3-34H2,1-2H3
InChIKeyAUVSPPPMZLPMOL-UHFFFAOYSA-N
MW531.01 g/mol
LogP14.00
Rot. Bonds3

About (1-cycloheptadecyl-2-methylpropyl)cycloheptadecane

(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane (PubChem CID 123633331) has the molecular formula C38H74 and a molecular weight of 531.01 g/mol. Its IUPAC name is (1-cycloheptadecyl-2-methylpropyl)cycloheptadecane.

Molecular Properties

Compound Name(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
PubChem CID123633331
Molecular FormulaC38H74
Molecular Weight531.01 g/mol
Exact Mass530.58
IUPAC Name(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
SMILESCC(C)C(C1CCCCCCCCCCCCCCCC1)C1CCCCCCCCCCCCCCCC1
InChIInChI=1S/C38H74/c1-35(2)38(36-31-27-23-19-15-11-7-3-4-8-12-16-20-24-28-32-36)37-33-29-25-21-17-13-9-5-6-10-14-18-22-26-30-34-37/h35-38H,3-34H2,1-2H3
InChIKeyAUVSPPPMZLPMOL-UHFFFAOYSA-N
XLogP14.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.01
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane
CID 157285148
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
1-cycloheptylpropane-1,2-diol
CID 103452573
ethane;methane;propan-2-ylcyclohexane
CID 169430642
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
(1-bromo-2-methylpropyl)cyclododecane
CID 79298781
2,3-dimethylbutylcyclodecane
CID 123220792
[(1R)-1-cyclohexylethyl]hydrazine
CID 51585397
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668

Frequently Asked Questions

What is the IUPAC name of (1-cycloheptadecyl-2-methylpropyl)cycloheptadecane?
The IUPAC name of (1-cycloheptadecyl-2-methylpropyl)cycloheptadecane (CID 123633331) is (1-cycloheptadecyl-2-methylpropyl)cycloheptadecane.
What is the SMILES notation for (1-cycloheptadecyl-2-methylpropyl)cycloheptadecane?
The canonical SMILES for (1-cycloheptadecyl-2-methylpropyl)cycloheptadecane is CC(C)C(C1CCCCCCCCCCCCCCCC1)C1CCCCCCCCCCCCCCCC1.
What is the InChIKey of (1-cycloheptadecyl-2-methylpropyl)cycloheptadecane?
The InChIKey is AUVSPPPMZLPMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74/c1-35(2)38(36-31-27-23-19-15-11-7-3-4-8-12-16-20-24-28-32-36)37-33-29-25-21-17-13-9-5-6-10-14-18-22-26-30-34-37/h35-38H,3-34H2,1-2H3.
What are the key properties of (1-cycloheptadecyl-2-methylpropyl)cycloheptadecane?
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane has a molecular weight of 531.01 g/mol, XLogP of 14.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cycloheptadecyl-2-methylpropyl)cycloheptadecane is sourced from PubChem (CID 123633331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).