4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene

C12H18 — CID 158405680

IUPAC4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene
SMILESC=C1C=C2C(CCCC2(C)C)C1
InChIInChI=1S/C12H18/c1-9-7-10-5-4-6-12(2,3)11(10)8-9/h8,10H,1,4-7H2,2-3H3
InChIKeyGYQULVDFMQWXNP-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds

About 4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene

4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene (PubChem CID 158405680) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene
PubChem CID158405680
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene
SMILESC=C1C=C2C(CCCC2(C)C)C1
InChIInChI=1S/C12H18/c1-9-7-10-5-4-6-12(2,3)11(10)8-9/h8,10H,1,4-7H2,2-3H3
InChIKeyGYQULVDFMQWXNP-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene
CID 159433734
8,8-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-one
CID 14712623
3-cyclobutyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320201
4,4-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2-one
CID 86049416
(1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one
CID 10821251
(2S,4aS,4bR,10aS)-2-ethenyl-2,8,8-trimethyl-1,3,4,4a,4b,5,6,7,10,10a-decahydrophenanthrene
CID 101042420
(E)-4-(3,3-dimethyl-2-methylidenecyclohexyl)but-3-en-2-one
CID 135020252
acetylene;1,1-dimethyl-2-methylidenecyclohexane
CID 91391286
(1R)-1,7,7-trimethyl-2-methylidenebicyclo[2.2.1]heptane
CID 162213995
(4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene
CID 59720392
7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
CID 143095782
4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene
CID 159250424

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene?
The IUPAC name of 4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene (CID 158405680) is 4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene.
What is the SMILES notation for 4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene?
The canonical SMILES for 4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene is C=C1C=C2C(CCCC2(C)C)C1.
What is the InChIKey of 4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene?
The InChIKey is GYQULVDFMQWXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9-7-10-5-4-6-12(2,3)11(10)8-9/h8,10H,1,4-7H2,2-3H3.
What are the key properties of 4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene?
4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene has a molecular weight of 162.28 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene is sourced from PubChem (CID 158405680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).