1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane

C13H24 — CID 173414387

IUPAC1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane
SMILESC=CCC1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H24/c1-6-8-11-12(2,3)9-7-10-13(11,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyRHOMIBQHAICLMY-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane

1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane (PubChem CID 173414387) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane
PubChem CID173414387
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane
SMILESC=CCC1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H24/c1-6-8-11-12(2,3)9-7-10-13(11,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyRHOMIBQHAICLMY-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
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

cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol
CID 101364468
2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 14380806
(3R,4R)-4-but-3-enyl-5,5-dimethyl-1-oxaspiro[2.5]octane
CID 100923257
1,1-dimethyl-2-prop-2-enylcyclopropane
CID 534921
(1S,2S,8aR)-2,5,5,8a-tetramethyl-1-prop-2-enyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 57219615
1,3,3-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptane
CID 173187277
3,4a,8,8-tetramethyl-4-[(2E)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
CID 102594528
but-1-ene;1,1,2,3-tetramethylcyclohexane
CID 142112432
1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane
CID 70503780
(3aR,6aS)-3a,6a-dimethyl-1-prop-2-enyl-3,4,5,6-tetrahydro-1H-pentalen-2-one
CID 134894502
(1R,2S,3S,4aS,4bS,8aS,10aS)-2-(hydroxymethyl)-4b,8,8,10a-tetramethyl-1-prop-2-enyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthren-3-ol
CID 102471984
2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane
CID 144667532

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane?
The IUPAC name of 1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane (CID 173414387) is 1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane?
The canonical SMILES for 1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane is C=CCC1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane?
The InChIKey is RHOMIBQHAICLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-8-11-12(2,3)9-7-10-13(11,4)5/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane?
1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane is sourced from PubChem (CID 173414387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).