1,2,3,4,5,6,7-heptamethylcycloheptane

C14H28 — CID 58641136

IUPAC1,2,3,4,5,6,7-heptamethylcycloheptane
SMILESCC1C(C)C(C)C(C)C(C)C(C)C1C
InChIInChI=1S/C14H28/c1-8-9(2)11(4)13(6)14(7)12(5)10(8)3/h8-14H,1-7H3
InChIKeyAECATVDKBKHETD-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.45
Rot. Bonds

About 1,2,3,4,5,6,7-heptamethylcycloheptane

1,2,3,4,5,6,7-heptamethylcycloheptane (PubChem CID 58641136) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptamethylcycloheptane.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptamethylcycloheptane
PubChem CID58641136
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,2,3,4,5,6,7-heptamethylcycloheptane
SMILESCC1C(C)C(C)C(C)C(C)C(C)C1C
InChIInChI=1S/C14H28/c1-8-9(2)11(4)13(6)14(7)12(5)10(8)3/h8-14H,1-7H3
InChIKeyAECATVDKBKHETD-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Methyldecane
CID 17835
3-Methyldecane
CID 92239
3,6-Dimethyloctane
CID 85927
2,6-Dimethyloctane
CID 16319
3-Methylnonane
CID 22202
2,3-Dimethylheptane
CID 26375
4-Methylnonane
CID 28455
4,5-Dimethylnonane
CID 86541
3,5-Dimethyloctane
CID 139989
3-Methyloctane
CID 16664
Heptane, 2,3,6-trimethyl-
CID 19944
2,6-Dimethylundecane
CID 28453

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptamethylcycloheptane?
The IUPAC name of 1,2,3,4,5,6,7-heptamethylcycloheptane (CID 58641136) is 1,2,3,4,5,6,7-heptamethylcycloheptane.
What is the SMILES notation for 1,2,3,4,5,6,7-heptamethylcycloheptane?
The canonical SMILES for 1,2,3,4,5,6,7-heptamethylcycloheptane is CC1C(C)C(C)C(C)C(C)C(C)C1C.
What is the InChIKey of 1,2,3,4,5,6,7-heptamethylcycloheptane?
The InChIKey is AECATVDKBKHETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-8-9(2)11(4)13(6)14(7)12(5)10(8)3/h8-14H,1-7H3.
What are the key properties of 1,2,3,4,5,6,7-heptamethylcycloheptane?
1,2,3,4,5,6,7-heptamethylcycloheptane has a molecular weight of 196.38 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptamethylcycloheptane is sourced from PubChem (CID 58641136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).