1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane

C12H20 — CID 123233514

IUPAC1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane
SMILESCC1CC1CC1CC1CC1CC1
InChIInChI=1S/C12H20/c1-8-4-10(8)6-12-7-11(12)5-9-2-3-9/h8-12H,2-7H2,1H3
InChIKeyOEGNKHMXZBQDRH-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds4

About 1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane

1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane (PubChem CID 123233514) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane
PubChem CID123233514
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane
SMILESCC1CC1CC1CC1CC1CC1
InChIInChI=1S/C12H20/c1-8-4-10(8)6-12-7-11(12)5-9-2-3-9/h8-12H,2-7H2,1H3
InChIKeyOEGNKHMXZBQDRH-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane?
The IUPAC name of 1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane (CID 123233514) is 1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane?
The canonical SMILES for 1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane is CC1CC1CC1CC1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane?
The InChIKey is OEGNKHMXZBQDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-8-4-10(8)6-12-7-11(12)5-9-2-3-9/h8-12H,2-7H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane?
1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane is sourced from PubChem (CID 123233514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).