6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene

C16H26 — CID 166139588

IUPAC6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene
SMILESCC(C)C(=CC1=CCC2(CC1)CC2)C(C)C
InChIInChI=1S/C16H26/c1-12(2)15(13(3)4)11-14-5-7-16(8-6-14)9-10-16/h5,11-13H,6-10H2,1-4H3
InChIKeyCILMNRDNSKFENQ-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.12
Rot. Bonds3

About 6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene

6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene (PubChem CID 166139588) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene.

Molecular Properties

Compound Name6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene
PubChem CID166139588
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene
SMILESCC(C)C(=CC1=CCC2(CC1)CC2)C(C)C
InChIInChI=1S/C16H26/c1-12(2)15(13(3)4)11-14-5-7-16(8-6-14)9-10-16/h5,11-13H,6-10H2,1-4H3
InChIKeyCILMNRDNSKFENQ-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene
CID 166139689
1-spiro[2.5]oct-6-en-6-ylethanamine
CID 123211232
3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene
CID 170581542
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(spiro[2.5]oct-6-en-6-ylmethylidene)pyrrolidine-1-carboxylic acid
CID 174223740
spiro[5.5]undec-3-en-3-ylboronic acid
CID 59771267
(4R)-4-methyl-4-(4-methyl-3-oxopentyl)-5-oxocycloheptene-1-carbaldehyde
CID 162989011
6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
CID 169199765
N-[(E,2S)-4-[6-(2-chloro-4-spiro[2.5]oct-6-en-6-ylphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 71515599
4,4-dimethyl-1-propan-2-ylcyclohexene;ethane
CID 169162938
2-(2,2-difluorospiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175968303
N-hydroxyspiro[4.5]dec-8-ene-8-carboxamide
CID 118593765
(3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one
CID 166078625

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene?
The IUPAC name of 6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene (CID 166139588) is 6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene.
What is the SMILES notation for 6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene?
The canonical SMILES for 6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene is CC(C)C(=CC1=CCC2(CC1)CC2)C(C)C.
What is the InChIKey of 6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene?
The InChIKey is CILMNRDNSKFENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-12(2)15(13(3)4)11-14-5-7-16(8-6-14)9-10-16/h5,11-13H,6-10H2,1-4H3.
What are the key properties of 6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene?
6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene has a molecular weight of 218.38 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene is sourced from PubChem (CID 166139588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).