1,6-dimethyl-6-propan-2-ylcyclohexene;ethane

C13H26 — CID 172575297

IUPAC1,6-dimethyl-6-propan-2-ylcyclohexene;ethane
SMILESCC.CC1=CCCCC1(C)C(C)C
InChIInChI=1S/C11H20.C2H6/c1-9(2)11(4)8-6-5-7-10(11)3;1-2/h7,9H,5-6,8H2,1-4H3;1-2H3
InChIKeyUBOHYAPOEDXWHN-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds1

About 1,6-dimethyl-6-propan-2-ylcyclohexene;ethane

1,6-dimethyl-6-propan-2-ylcyclohexene;ethane (PubChem CID 172575297) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,6-dimethyl-6-propan-2-ylcyclohexene;ethane.

Molecular Properties

Compound Name1,6-dimethyl-6-propan-2-ylcyclohexene;ethane
PubChem CID172575297
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,6-dimethyl-6-propan-2-ylcyclohexene;ethane
SMILESCC.CC1=CCCCC1(C)C(C)C
InChIInChI=1S/C11H20.C2H6/c1-9(2)11(4)8-6-5-7-10(11)3;1-2/h7,9H,5-6,8H2,1-4H3;1-2H3
InChIKeyUBOHYAPOEDXWHN-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
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

2,3,3,4-tetramethylcyclohepta-1,4-diene
CID 121218571
4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
CID 176715947
6-[(Z)-2-bromo-2-chloroethenyl]-1,6-dimethylcyclohexene
CID 88826043
3,5-dimethyl-3-propan-2-yl-1,2-dihydroindene
CID 169145342
1,4-dimethylcyclooct-4-en-1-ol
CID 68739487
ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene
CID 176568525
8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene
CID 101316645
1-(1-carboxy-2-methylcyclohex-2-ene-1-carbonyl)oxycarbonyl-2-methylcyclohex-2-ene-1-carboxylic acid
CID 87123043
methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate
CID 101374950
7-[(Z)-2-bromo-2-chloroethenyl]-1,7-dimethylcycloheptene
CID 88826192
2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane
CID 575288
3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene
CID 159109168

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-6-propan-2-ylcyclohexene;ethane?
The IUPAC name of 1,6-dimethyl-6-propan-2-ylcyclohexene;ethane (CID 172575297) is 1,6-dimethyl-6-propan-2-ylcyclohexene;ethane.
What is the SMILES notation for 1,6-dimethyl-6-propan-2-ylcyclohexene;ethane?
The canonical SMILES for 1,6-dimethyl-6-propan-2-ylcyclohexene;ethane is CC.CC1=CCCCC1(C)C(C)C.
What is the InChIKey of 1,6-dimethyl-6-propan-2-ylcyclohexene;ethane?
The InChIKey is UBOHYAPOEDXWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C2H6/c1-9(2)11(4)8-6-5-7-10(11)3;1-2/h7,9H,5-6,8H2,1-4H3;1-2H3.
What are the key properties of 1,6-dimethyl-6-propan-2-ylcyclohexene;ethane?
1,6-dimethyl-6-propan-2-ylcyclohexene;ethane has a molecular weight of 182.35 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-6-propan-2-ylcyclohexene;ethane is sourced from PubChem (CID 172575297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).