1-(cycloundecylmethyl)-2-methylcyclotridecane

C26H50 — CID 123643293

IUPAC1-(cycloundecylmethyl)-2-methylcyclotridecane
SMILESCC1CCCCCCCCCCCC1CC1CCCCCCCCCC1
InChIInChI=1S/C26H50/c1-24-19-15-11-7-3-2-4-10-14-18-22-26(24)23-25-20-16-12-8-5-6-9-13-17-21-25/h24-26H,2-23H2,1H3
InChIKeyKQBQFQZOVSACNJ-UHFFFAOYSA-N
MW362.69 g/mol
LogP9.46
Rot. Bonds2

About 1-(cycloundecylmethyl)-2-methylcyclotridecane

1-(cycloundecylmethyl)-2-methylcyclotridecane (PubChem CID 123643293) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is 1-(cycloundecylmethyl)-2-methylcyclotridecane.

Molecular Properties

Compound Name1-(cycloundecylmethyl)-2-methylcyclotridecane
PubChem CID123643293
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Name1-(cycloundecylmethyl)-2-methylcyclotridecane
SMILESCC1CCCCCCCCCCCC1CC1CCCCCCCCCC1
InChIInChI=1S/C26H50/c1-24-19-15-11-7-3-2-4-10-14-18-22-26(24)23-25-20-16-12-8-5-6-9-13-17-21-25/h24-26H,2-23H2,1H3
InChIKeyKQBQFQZOVSACNJ-UHFFFAOYSA-N
XLogP9.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane
CID 146946174
1-(cyclopent-3-en-1-ylmethyl)-2-methylcyclooctane
CID 163738529
1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305
2-(2-methylcyclopentyl)ethylcyclohexane
CID 134865391
4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium
CID 163127985
(2-methylcyclodecyl)methanamine
CID 163635360
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
cyclopentadecylmethylcyclopentadecane
CID 91804599
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
[2-(cyclohexylmethyl)cycloheptyl]methanamine
CID 81011169
2-[(2-methylcyclopentyl)methyl]azocane
CID 91042457
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638

Frequently Asked Questions

What is the IUPAC name of 1-(cycloundecylmethyl)-2-methylcyclotridecane?
The IUPAC name of 1-(cycloundecylmethyl)-2-methylcyclotridecane (CID 123643293) is 1-(cycloundecylmethyl)-2-methylcyclotridecane.
What is the SMILES notation for 1-(cycloundecylmethyl)-2-methylcyclotridecane?
The canonical SMILES for 1-(cycloundecylmethyl)-2-methylcyclotridecane is CC1CCCCCCCCCCCC1CC1CCCCCCCCCC1.
What is the InChIKey of 1-(cycloundecylmethyl)-2-methylcyclotridecane?
The InChIKey is KQBQFQZOVSACNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50/c1-24-19-15-11-7-3-2-4-10-14-18-22-26(24)23-25-20-16-12-8-5-6-9-13-17-21-25/h24-26H,2-23H2,1H3.
What are the key properties of 1-(cycloundecylmethyl)-2-methylcyclotridecane?
1-(cycloundecylmethyl)-2-methylcyclotridecane has a molecular weight of 362.69 g/mol, XLogP of 9.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloundecylmethyl)-2-methylcyclotridecane is sourced from PubChem (CID 123643293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).