1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)

C36H74 — CID 159863371

IUPAC1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
SMILESCC.CC.CC1CCCC(C2CCCC2)CCC1.CC1CCCCCCC1.CC1CCCCCCC1
InChIInChI=1S/C14H26.2C9H18.2C2H6/c1-12-6-4-10-14(11-5-7-12)13-8-2-3-9-13;2*1-9-7-5-3-2-4-6-8-9;2*1-2/h12-14H,2-11H2,1H3;2*9H,2-8H2,1H3;2*1-2H3
InChIKeyNRKTUIMPKFNPPX-UHFFFAOYSA-N
MW506.99 g/mol
LogP13.57
Rot. Bonds1

About 1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)

1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane) (PubChem CID 159863371) has the molecular formula C36H74 and a molecular weight of 506.99 g/mol. Its IUPAC name is 1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane).

Molecular Properties

Compound Name1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
PubChem CID159863371
Molecular FormulaC36H74
Molecular Weight506.99 g/mol
Exact Mass506.58
IUPAC Name1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
SMILESCC.CC.CC1CCCC(C2CCCC2)CCC1.CC1CCCCCCC1.CC1CCCCCCC1
InChIInChI=1S/C14H26.2C9H18.2C2H6/c1-12-6-4-10-14(11-5-7-12)13-8-2-3-9-13;2*1-9-7-5-3-2-4-6-8-9;2*1-2/h12-14H,2-11H2,1H3;2*9H,2-8H2,1H3;2*1-2H3
InChIKeyNRKTUIMPKFNPPX-UHFFFAOYSA-N
XLogP13.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.99
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 159024570
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
ethane;methylcyclohexane;dihydrate
CID 144526565
ethane;methane;methylcyclohexane
CID 142966230
methane;methylcyclobutane;methylcyclohexane;methylcyclopentane
CID 159112389

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)?
The IUPAC name of 1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane) (CID 159863371) is 1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane).
What is the SMILES notation for 1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)?
The canonical SMILES for 1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane) is CC.CC.CC1CCCC(C2CCCC2)CCC1.CC1CCCCCCC1.CC1CCCCCCC1.
What is the InChIKey of 1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)?
The InChIKey is NRKTUIMPKFNPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.2C9H18.2C2H6/c1-12-6-4-10-14(11-5-7-12)13-8-2-3-9-13;2*1-9-7-5-3-2-4-6-8-9;2*1-2/h12-14H,2-11H2,1H3;2*9H,2-8H2,1H3;2*1-2H3.
What are the key properties of 1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)?
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane) has a molecular weight of 506.99 g/mol, XLogP of 13.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane) is sourced from PubChem (CID 159863371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).