4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]

C16H22 — CID 123186301

IUPAC4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]
SMILESCc1ccc(C)c2c1CCC21CCCCC1
InChIInChI=1S/C16H22/c1-12-6-7-13(2)15-14(12)8-11-16(15)9-4-3-5-10-16/h6-7H,3-5,8-11H2,1-2H3
InChIKeyOSWWIEZAYYPFBZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.45
Rot. Bonds

About 4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]

4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane] (PubChem CID 123186301) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane].

Molecular Properties

Compound Name4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]
PubChem CID123186301
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]
SMILESCc1ccc(C)c2c1CCC21CCCCC1
InChIInChI=1S/C16H22/c1-12-6-7-13(2)15-14(12)8-11-16(15)9-4-3-5-10-16/h6-7H,3-5,8-11H2,1-2H3
InChIKeyOSWWIEZAYYPFBZ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-ethyl-4-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
CID 144593921
4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
CID 144594164
4,7-dimethylspiro[1,2-dihydroindene-3,4'-oxane];ethane;methane
CID 144594027
1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone
CID 118314357
ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite
CID 144594239
bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 91179603
1,4-dimethylspiro[6,7-dihydrocyclopenta[d]pyridazine-5,1'-cyclopentane];ethane
CID 144594246
3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene
CID 177102559
5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane
CID 145243856
7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 170422680
8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]
CID 156809087
7-ethyl-4-methoxyspiro[1,2-dihydroindene-3,1'-cyclopentane]
CID 123748648

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]?
The IUPAC name of 4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane] (CID 123186301) is 4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane].
What is the SMILES notation for 4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]?
The canonical SMILES for 4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane] is Cc1ccc(C)c2c1CCC21CCCCC1.
What is the InChIKey of 4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]?
The InChIKey is OSWWIEZAYYPFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-12-6-7-13(2)15-14(12)8-11-16(15)9-4-3-5-10-16/h6-7H,3-5,8-11H2,1-2H3.
What are the key properties of 4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]?
4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane] has a molecular weight of 214.35 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane] is sourced from PubChem (CID 123186301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).