1,1,2-trimethylcycloundecane

C14H28 — CID 544748

IUPAC1,1,2-trimethylcycloundecane
SMILESCC1CCCCCCCCCC1(C)C
InChIInChI=1S/C14H28/c1-13-11-9-7-5-4-6-8-10-12-14(13,2)3/h13H,4-12H2,1-3H3
InChIKeyHMFAVPQMBDCNQH-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.17
Rot. Bonds

About 1,1,2-trimethylcycloundecane

1,1,2-trimethylcycloundecane (PubChem CID 544748) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,1,2-trimethylcycloundecane.

Molecular Properties

Compound Name1,1,2-trimethylcycloundecane
PubChem CID544748
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,1,2-trimethylcycloundecane
SMILESCC1CCCCCCCCCC1(C)C
InChIInChI=1S/C14H28/c1-13-11-9-7-5-4-6-8-10-12-14(13,2)3/h13H,4-12H2,1-3H3
InChIKeyHMFAVPQMBDCNQH-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methanol;1,1,2-trimethylcyclohexane
CID 70292509
2-methyloxirane;1,1,2-trimethylcyclohexane
CID 20977929
isothiocyanic acid;1,1,2-trimethylcyclohexane
CID 174786251
1,1,2,8-tetramethylcyclononane
CID 123968014
1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
CID 173459900
CID 173459900
1,1,2,7-tetramethylcyclooctane
CID 141451493
1,1-dibromo-2-methylcycloheptane
CID 70854356
1,2-dimethylcycloundecane-1-carbaldehyde
CID 138734446
2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol
CID 130369263
1-(1,2-dimethylcyclohexyl)cyclohexan-1-amine
CID 67782640

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethylcycloundecane?
The IUPAC name of 1,1,2-trimethylcycloundecane (CID 544748) is 1,1,2-trimethylcycloundecane.
What is the SMILES notation for 1,1,2-trimethylcycloundecane?
The canonical SMILES for 1,1,2-trimethylcycloundecane is CC1CCCCCCCCCC1(C)C.
What is the InChIKey of 1,1,2-trimethylcycloundecane?
The InChIKey is HMFAVPQMBDCNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-13-11-9-7-5-4-6-8-10-12-14(13,2)3/h13H,4-12H2,1-3H3.
What are the key properties of 1,1,2-trimethylcycloundecane?
1,1,2-trimethylcycloundecane has a molecular weight of 196.38 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethylcycloundecane is sourced from PubChem (CID 544748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).