1,1-dimethylcyclohexane;pent-1-ene;propane

C16H34 — CID 143331368

IUPAC1,1-dimethylcyclohexane;pent-1-ene;propane
SMILESC=CCCC.CC1(C)CCCCC1.CCC
InChIInChI=1S/C8H16.C5H10.C3H8/c1-8(2)6-4-3-5-7-8;1-3-5-4-2;1-3-2/h3-7H2,1-2H3;3H,1,4-5H2,2H3;3H2,1-2H3
InChIKeyAHLRHVZYNDVSTQ-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.37
Rot. Bonds2

About 1,1-dimethylcyclohexane;pent-1-ene;propane

1,1-dimethylcyclohexane;pent-1-ene;propane (PubChem CID 143331368) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane;pent-1-ene;propane.

Molecular Properties

Compound Name1,1-dimethylcyclohexane;pent-1-ene;propane
PubChem CID143331368
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name1,1-dimethylcyclohexane;pent-1-ene;propane
SMILESC=CCCC.CC1(C)CCCCC1.CCC
InChIInChI=1S/C8H16.C5H10.C3H8/c1-8(2)6-4-3-5-7-8;1-3-5-4-2;1-3-2/h3-7H2,1-2H3;3H,1,4-5H2,2H3;3H2,1-2H3
InChIKeyAHLRHVZYNDVSTQ-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;pent-1-ene;propane
CID 162735255
(111C)pent-1-ene
CID 177423582
CID 175109121
CID 175109121
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
cyclopentane;hept-1-ene
CID 159296541
1,1-dimethylcyclohexane;(Z)-hept-3-en-1-yne
CID 142322103
decane;pent-1-ene
CID 159058331
butane;ethene;pent-1-ene
CID 177174553
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane
CID 90993293

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane;pent-1-ene;propane?
The IUPAC name of 1,1-dimethylcyclohexane;pent-1-ene;propane (CID 143331368) is 1,1-dimethylcyclohexane;pent-1-ene;propane.
What is the SMILES notation for 1,1-dimethylcyclohexane;pent-1-ene;propane?
The canonical SMILES for 1,1-dimethylcyclohexane;pent-1-ene;propane is C=CCCC.CC1(C)CCCCC1.CCC.
What is the InChIKey of 1,1-dimethylcyclohexane;pent-1-ene;propane?
The InChIKey is AHLRHVZYNDVSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C5H10.C3H8/c1-8(2)6-4-3-5-7-8;1-3-5-4-2;1-3-2/h3-7H2,1-2H3;3H,1,4-5H2,2H3;3H2,1-2H3.
What are the key properties of 1,1-dimethylcyclohexane;pent-1-ene;propane?
1,1-dimethylcyclohexane;pent-1-ene;propane has a molecular weight of 226.45 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclohexane;pent-1-ene;propane is sourced from PubChem (CID 143331368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).