1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen

C34H76 — CID 158750937

IUPAC1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen
SMILESC.C.CCCCCC1CCCC(CCCCC)C1.CCCCCCCCCC1CCCC(C)C1.[H][H].[H][H]
InChIInChI=1S/2C16H32.2CH4.2H2/c1-3-4-5-6-7-8-9-12-16-13-10-11-15(2)14-16;1-3-5-7-10-15-12-9-13-16(14-15)11-8-6-4-2;;;;/h2*15-16H,3-14H2,1-2H3;2*1H4;2*1H
InChIKeyINLXKGJNYNBNSK-UHFFFAOYSA-N
MW484.98 g/mol
LogP13.67
Rot. Bonds16

About 1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen

1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen (PubChem CID 158750937) has the molecular formula C34H76 and a molecular weight of 484.98 g/mol. Its IUPAC name is 1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen.

Molecular Properties

Compound Name1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen
PubChem CID158750937
Molecular FormulaC34H76
Molecular Weight484.98 g/mol
Exact Mass484.59
IUPAC Name1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen
SMILESC.C.CCCCCC1CCCC(CCCCC)C1.CCCCCCCCCC1CCCC(C)C1.[H][H].[H][H]
InChIInChI=1S/2C16H32.2CH4.2H2/c1-3-4-5-6-7-8-9-12-16-13-10-11-15(2)14-16;1-3-5-7-10-15-12-9-13-16(14-15)11-8-6-4-2;;;;/h2*15-16H,3-14H2,1-2H3;2*1H4;2*1H
InChIKeyINLXKGJNYNBNSK-UHFFFAOYSA-N
XLogP13.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 513.67
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

1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329
1,3-diheptylcyclohexane
CID 19973333
1,3-dipentylcyclohexane
CID 54105663
1-methyl-4-pentylcycloheptane
CID 123318058
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
3-heptylcyclohexan-1-ol
CID 64515801
bis(1-butyl-3-methylcyclopentane);carbanide;dichlorozirconium(2+);molecular hydrogen
CID 162291170
bis(1-butyl-3-methylcyclopentane);carbanide;zirconium(4+)
CID 23232814
3-hexylcyclohexane-1-carboxylic acid
CID 66817282
tetradecylcyclododecane
CID 169026037

Frequently Asked Questions

What is the IUPAC name of 1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen?
The IUPAC name of 1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen (CID 158750937) is 1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen.
What is the SMILES notation for 1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen?
The canonical SMILES for 1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen is C.C.CCCCCC1CCCC(CCCCC)C1.CCCCCCCCCC1CCCC(C)C1.[H][H].[H][H].
What is the InChIKey of 1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen?
The InChIKey is INLXKGJNYNBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H32.2CH4.2H2/c1-3-4-5-6-7-8-9-12-16-13-10-11-15(2)14-16;1-3-5-7-10-15-12-9-13-16(14-15)11-8-6-4-2;;;;/h2*15-16H,3-14H2,1-2H3;2*1H4;2*1H.
What are the key properties of 1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen?
1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen has a molecular weight of 484.98 g/mol, XLogP of 13.67, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen is sourced from PubChem (CID 158750937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).