1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane

C13H24 — CID 149337768

IUPAC1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane
SMILESC=CCC1(C)CC(C)CC(C)(C)C1
InChIInChI=1S/C13H24/c1-6-7-13(5)9-11(2)8-12(3,4)10-13/h6,11H,1,7-10H2,2-5H3
InChIKeyYDOSFJZWVQYEKH-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds2

About 1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane

1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane (PubChem CID 149337768) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane
PubChem CID149337768
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane
SMILESC=CCC1(C)CC(C)CC(C)(C)C1
InChIInChI=1S/C13H24/c1-6-7-13(5)9-11(2)8-12(3,4)10-13/h6,11H,1,7-10H2,2-5H3
InChIKeyYDOSFJZWVQYEKH-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

1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane
CID 143368961
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
1-ethenyl-1,3,3,5-tetramethylcyclohexane
CID 20692079
benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
CID 158757450
1-(methoxymethyl)-1,3,3,5-tetramethylcyclohexane
CID 20692115
3,3,5-trimethyl-5-prop-2-enylcyclohexan-1-one
CID 14874840
1,1,3-trimethylcyclobutane
CID 12656861
(3E,5E)-6-[1-[(3E,5E)-6-hydroxyocta-1,3,5,7-tetraen-3-yl]-3,3,5-trimethylcyclohexyl]octa-1,3,5,7-tetraen-3-ol
CID 155380161
(4-methyl-4-prop-2-enyloxolan-2-yl)methanol
CID 130147797
1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea
CID 59547464
ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889

Frequently Asked Questions

What is the IUPAC name of 1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane?
The IUPAC name of 1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane (CID 149337768) is 1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane.
What is the SMILES notation for 1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane?
The canonical SMILES for 1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane is C=CCC1(C)CC(C)CC(C)(C)C1.
What is the InChIKey of 1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane?
The InChIKey is YDOSFJZWVQYEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-7-13(5)9-11(2)8-12(3,4)10-13/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane?
1,1,3,5-tetramethyl-3-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 1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane is sourced from PubChem (CID 149337768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).