1,2-bis(2-methylpropyl)cycloheptane

C15H30 — CID 175310859

IUPAC1,2-bis(2-methylpropyl)cycloheptane
SMILESCC(C)CC1CCCCCC1CC(C)C
InChIInChI=1S/C15H30/c1-12(2)10-14-8-6-5-7-9-15(14)11-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyDCMFGNCRBCXCTF-UHFFFAOYSA-N
MW210.41 g/mol
LogP5.28
Rot. Bonds4

About 1,2-bis(2-methylpropyl)cycloheptane

1,2-bis(2-methylpropyl)cycloheptane (PubChem CID 175310859) has the molecular formula C15H30 and a molecular weight of 210.41 g/mol. Its IUPAC name is 1,2-bis(2-methylpropyl)cycloheptane.

Molecular Properties

Compound Name1,2-bis(2-methylpropyl)cycloheptane
PubChem CID175310859
Molecular FormulaC15H30
Molecular Weight210.41 g/mol
Exact Mass210.23
IUPAC Name1,2-bis(2-methylpropyl)cycloheptane
SMILESCC(C)CC1CCCCCC1CC(C)C
InChIInChI=1S/C15H30/c1-12(2)10-14-8-6-5-7-9-15(14)11-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyDCMFGNCRBCXCTF-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylpropyl)cycloheptane?
The IUPAC name of 1,2-bis(2-methylpropyl)cycloheptane (CID 175310859) is 1,2-bis(2-methylpropyl)cycloheptane.
What is the SMILES notation for 1,2-bis(2-methylpropyl)cycloheptane?
The canonical SMILES for 1,2-bis(2-methylpropyl)cycloheptane is CC(C)CC1CCCCCC1CC(C)C.
What is the InChIKey of 1,2-bis(2-methylpropyl)cycloheptane?
The InChIKey is DCMFGNCRBCXCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-12(2)10-14-8-6-5-7-9-15(14)11-13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1,2-bis(2-methylpropyl)cycloheptane?
1,2-bis(2-methylpropyl)cycloheptane has a molecular weight of 210.41 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpropyl)cycloheptane is sourced from PubChem (CID 175310859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).