1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane

C14H28 — CID 123586456

IUPAC1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane
SMILESCC(C)C(C)C1(C(C)C)CC1C(C)C
InChIInChI=1S/C14H28/c1-9(2)12(7)14(11(5)6)8-13(14)10(3)4/h9-13H,8H2,1-7H3
InChIKeyHXIRVRJOHJTCQT-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.60
Rot. Bonds4

About 1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane

1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane (PubChem CID 123586456) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane
PubChem CID123586456
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane
SMILESCC(C)C(C)C1(C(C)C)CC1C(C)C
InChIInChI=1S/C14H28/c1-9(2)12(7)14(11(5)6)8-13(14)10(3)4/h9-13H,8H2,1-7H3
InChIKeyHXIRVRJOHJTCQT-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane?
The IUPAC name of 1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane (CID 123586456) is 1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane?
The canonical SMILES for 1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane is CC(C)C(C)C1(C(C)C)CC1C(C)C.
What is the InChIKey of 1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane?
The InChIKey is HXIRVRJOHJTCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-9(2)12(7)14(11(5)6)8-13(14)10(3)4/h9-13H,8H2,1-7H3.
What are the key properties of 1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane?
1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-1,2-di(propan-2-yl)cyclopropane is sourced from PubChem (CID 123586456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).