2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]

C16H26 — CID 91245081

IUPAC2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
SMILESCCC(C)=C(C)CC1CC12C1C(C(C)C)C12
InChIInChI=1S/C16H26/c1-6-10(4)11(5)7-12-8-16(12)14-13(9(2)3)15(14)16/h9,12-15H,6-8H2,1-5H3
InChIKeyOZXVEXCQWZMPRT-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.66
Rot. Bonds4

About 2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]

2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane] (PubChem CID 91245081) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane].

Molecular Properties

Compound Name2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
PubChem CID91245081
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
SMILESCCC(C)=C(C)CC1CC12C1C(C(C)C)C12
InChIInChI=1S/C16H26/c1-6-10(4)11(5)7-12-8-16(12)14-13(9(2)3)15(14)16/h9,12-15H,6-8H2,1-5H3
InChIKeyOZXVEXCQWZMPRT-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane] with MolForge

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Related Compounds

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CID 600264
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CID 2751845
(2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane
CID 126738537
3-(3-Cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane
CID 134570969
1,1,2,2,5,5,6,6-Octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane
CID 12706186
1-Methyl-1-[1,2,2-tris(1-methylcyclopropyl)vinyl]cyclopropane
CID 13128957
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
1,2,3,4,5,6,7,8-Octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene
CID 102588780
(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
15,16-Bis(dispiro[2.0.2.1]hept-7-ylidene)hexaspiro[2.0.2.0.0.0. 2.0.2.0.2.0]hexadecane
CID 139053800
1,3,6-Tritert-butyl-2,4,5-trifluorotricyclo[3.1.0.02,6]hex-3-ene
CID 23233734
1-Butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane
CID 12567931

Frequently Asked Questions

What is the IUPAC name of 2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]?
The IUPAC name of 2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane] (CID 91245081) is 2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane].
What is the SMILES notation for 2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]?
The canonical SMILES for 2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane] is CCC(C)=C(C)CC1CC12C1C(C(C)C)C12.
What is the InChIKey of 2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]?
The InChIKey is OZXVEXCQWZMPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-6-10(4)11(5)7-12-8-16(12)14-13(9(2)3)15(14)16/h9,12-15H,6-8H2,1-5H3.
What are the key properties of 2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]?
2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane] has a molecular weight of 218.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2,3-dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane] is sourced from PubChem (CID 91245081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).