6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane

C16H28 — CID 167617145

IUPAC6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane
SMILESCC1CCC(CC2CC3(CC(C)C3)C2)CC1
InChIInChI=1S/C16H28/c1-12-3-5-14(6-4-12)7-15-10-16(11-15)8-13(2)9-16/h12-15H,3-11H2,1-2H3
InChIKeyQWHDMYUNAMAFOE-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.03
Rot. Bonds2

About 6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane

6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane (PubChem CID 167617145) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane.

Molecular Properties

Compound Name6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane
PubChem CID167617145
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane
SMILESCC1CCC(CC2CC3(CC(C)C3)C2)CC1
InChIInChI=1S/C16H28/c1-12-3-5-14(6-4-12)7-15-10-16(11-15)8-13(2)9-16/h12-15H,3-11H2,1-2H3
InChIKeyQWHDMYUNAMAFOE-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane
CID 130469055
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
2,6-dimethylspiro[3.3]heptane
CID 21304360
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane
CID 130261235
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
CID 147298392
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol
CID 59931224

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane?
The IUPAC name of 6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane (CID 167617145) is 6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane.
What is the SMILES notation for 6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane?
The canonical SMILES for 6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane is CC1CCC(CC2CC3(CC(C)C3)C2)CC1.
What is the InChIKey of 6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane?
The InChIKey is QWHDMYUNAMAFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-12-3-5-14(6-4-12)7-15-10-16(11-15)8-13(2)9-16/h12-15H,3-11H2,1-2H3.
What are the key properties of 6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane?
6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane has a molecular weight of 220.40 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane is sourced from PubChem (CID 167617145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).