2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane]

C15H24 — CID 123193551

IUPAC2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane]
SMILESCC(C)C(C)C(C)C1=C2C1C21C(C)C1C
InChIInChI=1S/C15H24/c1-7(2)8(3)9(4)12-13-14(12)15(13)10(5)11(15)6/h7-11,13H,1-6H3
InChIKeyNNJVJIUMQDJPHB-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.13
Rot. Bonds3

About 2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane]

2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane] (PubChem CID 123193551) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane].

Molecular Properties

Compound Name2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane]
PubChem CID123193551
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane]
SMILESCC(C)C(C)C(C)C1=C2C1C21C(C)C1C
InChIInChI=1S/C15H24/c1-7(2)8(3)9(4)12-13-14(12)15(13)10(5)11(15)6/h7-11,13H,1-6H3
InChIKeyNNJVJIUMQDJPHB-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane] with MolForge

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Related Compounds

4-Methyl-3-carene
CID 14029516
syn-Tricyclo[5.1.0.0(2,4)]oct-5-ene, 3,3,5,6,8,8-hexamethyl-
CID 600264
1,3,3-Trimethyl-2-(2-methyl-cyclopropyl)-cyclohexene
CID 595941
1-(Spiropentyl)-2,3,3-trifluorocyclobut-1-ene
CID 21589415
10-Trispiro[2.0.24.0.27.13]decan-10-ylidenetrispiro[2.0.24.0.27.13]decane
CID 2751845
1-tert-Butyl-4-cyclopropylidenecyclohexane
CID 13280445
7-Dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane
CID 11217645
12-Hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane
CID 101057423
8-Cyclopropylidenedi-spiro[2.0.2.3]nonane
CID 101177781
(4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane
CID 134889487
CID 134894136
CID 134894136
2,6,6-Trimethylbicyclo[3.1.0]hex-1-ene
CID 164667191

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane]?
The IUPAC name of 2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane] (CID 123193551) is 2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane].
What is the SMILES notation for 2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane]?
The canonical SMILES for 2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane] is CC(C)C(C)C(C)C1=C2C1C21C(C)C1C.
What is the InChIKey of 2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane]?
The InChIKey is NNJVJIUMQDJPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-7(2)8(3)9(4)12-13-14(12)15(13)10(5)11(15)6/h7-11,13H,1-6H3.
What are the key properties of 2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane]?
2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane] has a molecular weight of 204.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane] is sourced from PubChem (CID 123193551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).