ethane;heptane;3,4,4-trimethyloctylcyclopentane

C27H60 — CID 142984263

IUPACethane;heptane;3,4,4-trimethyloctylcyclopentane
SMILESCC.CC.CCCCC(C)(C)C(C)CCC1CCCC1.CCCCCCC
InChIInChI=1S/C16H32.C7H16.2C2H6/c1-5-6-13-16(3,4)14(2)11-12-15-9-7-8-10-15;1-3-5-7-6-4-2;2*1-2/h14-15H,5-13H2,1-4H3;3-7H2,1-2H3;2*1-2H3
InChIKeyXFTYWCJJLSNDHX-UHFFFAOYSA-N
MW384.78 g/mol
LogP10.84
Rot. Bonds11

About ethane;heptane;3,4,4-trimethyloctylcyclopentane

ethane;heptane;3,4,4-trimethyloctylcyclopentane (PubChem CID 142984263) has the molecular formula C27H60 and a molecular weight of 384.78 g/mol. Its IUPAC name is ethane;heptane;3,4,4-trimethyloctylcyclopentane.

Molecular Properties

Compound Nameethane;heptane;3,4,4-trimethyloctylcyclopentane
PubChem CID142984263
Molecular FormulaC27H60
Molecular Weight384.78 g/mol
Exact Mass384.47
IUPAC Nameethane;heptane;3,4,4-trimethyloctylcyclopentane
SMILESCC.CC.CCCCC(C)(C)C(C)CCC1CCCC1.CCCCCCC
InChIInChI=1S/C16H32.C7H16.2C2H6/c1-5-6-13-16(3,4)14(2)11-12-15-9-7-8-10-15;1-3-5-7-6-4-2;2*1-2/h14-15H,5-13H2,1-4H3;3-7H2,1-2H3;2*1-2H3
InChIKeyXFTYWCJJLSNDHX-UHFFFAOYSA-N
XLogP10.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.78
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,5,5-trimethyldodecane
CID 123360574
1-cyclopentylundecan-3-amine
CID 115835660
1-cyclopentyldecan-3-ol
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tetradecylcyclododecane
CID 169026037
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
6,12-dimethylhexadecylcyclopentane;ethane;methane
CID 145468436
azane;heptylcyclohexane
CID 121434222
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
CID 162290746
ethane;2,3,3-trimethyloctane
CID 142049944
2,3,3-trimethyloctadecane
CID 90966938

Frequently Asked Questions

What is the IUPAC name of ethane;heptane;3,4,4-trimethyloctylcyclopentane?
The IUPAC name of ethane;heptane;3,4,4-trimethyloctylcyclopentane (CID 142984263) is ethane;heptane;3,4,4-trimethyloctylcyclopentane.
What is the SMILES notation for ethane;heptane;3,4,4-trimethyloctylcyclopentane?
The canonical SMILES for ethane;heptane;3,4,4-trimethyloctylcyclopentane is CC.CC.CCCCC(C)(C)C(C)CCC1CCCC1.CCCCCCC.
What is the InChIKey of ethane;heptane;3,4,4-trimethyloctylcyclopentane?
The InChIKey is XFTYWCJJLSNDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32.C7H16.2C2H6/c1-5-6-13-16(3,4)14(2)11-12-15-9-7-8-10-15;1-3-5-7-6-4-2;2*1-2/h14-15H,5-13H2,1-4H3;3-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;heptane;3,4,4-trimethyloctylcyclopentane?
ethane;heptane;3,4,4-trimethyloctylcyclopentane has a molecular weight of 384.78 g/mol, XLogP of 10.84, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;heptane;3,4,4-trimethyloctylcyclopentane is sourced from PubChem (CID 142984263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).