1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane

C14H26 — CID 123414823

IUPAC1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane
SMILESCC1CCC(CC2CCC2)C(C)C1C
InChIInChI=1S/C14H26/c1-10-7-8-14(12(3)11(10)2)9-13-5-4-6-13/h10-14H,4-9H2,1-3H3
InChIKeySAFYNLIMZMFMTJ-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.49
Rot. Bonds2

About 1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane

1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane (PubChem CID 123414823) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane
PubChem CID123414823
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane
SMILESCC1CCC(CC2CCC2)C(C)C1C
InChIInChI=1S/C14H26/c1-10-7-8-14(12(3)11(10)2)9-13-5-4-6-13/h10-14H,4-9H2,1-3H3
InChIKeySAFYNLIMZMFMTJ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane
CID 59755188
trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane
CID 146946174
3-(cyclopentylmethyl)-2-methylcyclopentan-1-ol
CID 64910317
1-(cycloundecylmethyl)-2-methylcyclotridecane
CID 123643293
3-(cyclobutylmethyl)-4-methylpiperidine
CID 106779274
1-[(2,3-difluoro-4-methylcyclohexyl)methyl]-4-ethenylcycloheptane
CID 143761329
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519
1-methyl-2-[(3-methylcyclobutyl)methyl]cyclobutane
CID 123345724
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
[(1S)-2,3-dimethylcyclopentyl]methanamine
CID 129279891
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane?
The IUPAC name of 1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane (CID 123414823) is 1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane.
What is the SMILES notation for 1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane?
The canonical SMILES for 1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane is CC1CCC(CC2CCC2)C(C)C1C.
What is the InChIKey of 1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane?
The InChIKey is SAFYNLIMZMFMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-10-7-8-14(12(3)11(10)2)9-13-5-4-6-13/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane?
1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane has a molecular weight of 194.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane is sourced from PubChem (CID 123414823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).