3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene

C14H18 — CID 177102559

IUPAC3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene
SMILESCc1ccc2c3c1CCCC3(C)CC2
InChIInChI=1S/C14H18/c1-10-5-6-11-7-9-14(2)8-3-4-12(10)13(11)14/h5-6H,3-4,7-9H2,1-2H3
InChIKeyBZNRSEFPJMFCBG-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.54
Rot. Bonds

About 3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene

3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene (PubChem CID 177102559) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene.

Molecular Properties

Compound Name3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene
PubChem CID177102559
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene
SMILESCc1ccc2c3c1CCCC3(C)CC2
InChIInChI=1S/C14H18/c1-10-5-6-11-7-9-14(2)8-3-4-12(10)13(11)14/h5-6H,3-4,7-9H2,1-2H3
InChIKeyBZNRSEFPJMFCBG-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123186301
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CID 177102366
3,3,8-trimethyl-2,4-dihydro-1H-naphthalene
CID 59978113
2,4-dimethyl-7-(1-methylcyclohexyl)-1H-indene
CID 56994043
4-fluoro-8-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
CID 84736314
1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 105446199
4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
CID 144594164
4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane
CID 145190891
4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene
CID 123739587
(4'-acetyloxy-7,7'-dimethyl-3,3'-spirobi[1,2-dihydroindene]-4-yl) acetate
CID 58636069
1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908872
1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84721905

Frequently Asked Questions

What is the IUPAC name of 3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene?
The IUPAC name of 3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene (CID 177102559) is 3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene.
What is the SMILES notation for 3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene?
The canonical SMILES for 3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene is Cc1ccc2c3c1CCCC3(C)CC2.
What is the InChIKey of 3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene?
The InChIKey is BZNRSEFPJMFCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-10-5-6-11-7-9-14(2)8-3-4-12(10)13(11)14/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene?
3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene has a molecular weight of 186.30 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene is sourced from PubChem (CID 177102559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).