1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane

C12H22 — CID 123456520

IUPAC1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane
SMILESC=C(CC)C(C)C1CC1C(C)C
InChIInChI=1S/C12H22/c1-6-9(4)10(5)12-7-11(12)8(2)3/h8,10-12H,4,6-7H2,1-3,5H3
InChIKeyXLTLWVABYRLCKQ-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.88
Rot. Bonds4

About 1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane

1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane (PubChem CID 123456520) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane
PubChem CID123456520
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane
SMILESC=C(CC)C(C)C1CC1C(C)C
InChIInChI=1S/C12H22/c1-6-9(4)10(5)12-7-11(12)8(2)3/h8,10-12H,4,6-7H2,1-3,5H3
InChIKeyXLTLWVABYRLCKQ-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
(2S,3S)-3-methyl-4-methylidenehexan-2-ol
CID 130747070
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
1-ethyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123962294
3-(2-propan-2-ylcyclopropyl)butanoic acid
CID 84653840
1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane
CID 123819906
(E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane
CID 164960438
2-fluoro-3-methylidenepentane
CID 89209317
3-methylidenepentane-2-thiol
CID 57045878
2-bromo-3-methylidenepentane
CID 88691030
1-methyl-2-(2-methyl-4-methylidenehexan-3-yl)cyclobutane
CID 123907481
N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride
CID 163929653

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane?
The IUPAC name of 1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane (CID 123456520) is 1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane is C=C(CC)C(C)C1CC1C(C)C.
What is the InChIKey of 1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane?
The InChIKey is XLTLWVABYRLCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-6-9(4)10(5)12-7-11(12)8(2)3/h8,10-12H,4,6-7H2,1-3,5H3.
What are the key properties of 1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane?
1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane has a molecular weight of 166.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane is sourced from PubChem (CID 123456520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).