ethane;9-methyl-9H-cyclohepta[a]naphthalene

C18H20 — CID 143739636

IUPACethane;9-methyl-9H-cyclohepta[a]naphthalene
SMILESCC.CC1C=Cc2ccc3ccccc3c2C=C1
InChIInChI=1S/C16H14.C2H6/c1-12-6-8-14-10-9-13-4-2-3-5-15(13)16(14)11-7-12;1-2/h2-12H,1H3;1-2H3
InChIKeyORHIXESFPCMBRS-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.54
Rot. Bonds

About ethane;9-methyl-9H-cyclohepta[a]naphthalene

ethane;9-methyl-9H-cyclohepta[a]naphthalene (PubChem CID 143739636) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;9-methyl-9H-cyclohepta[a]naphthalene.

Molecular Properties

Compound Nameethane;9-methyl-9H-cyclohepta[a]naphthalene
PubChem CID143739636
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Nameethane;9-methyl-9H-cyclohepta[a]naphthalene
SMILESCC.CC1C=Cc2ccc3ccccc3c2C=C1
InChIInChI=1S/C16H14.C2H6/c1-12-6-8-14-10-9-13-4-2-3-5-15(13)16(14)11-7-12;1-2/h2-12H,1H3;1-2H3
InChIKeyORHIXESFPCMBRS-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(3R)-3-[2-[(3R)-3H-cyclopenta[a]naphthalen-3-yl]propan-2-yl]-3H-cyclopenta[a]naphthalene
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2-methyl-2H-phenanthren-1-one
CID 154182792
ethane;methane;phenanthrene
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bis[(3R)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
CID 101485885
bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
CID 101485886
ethane;8-methyl-5,8-dihydrocyclohepta[b]indole
CID 142064594
5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane
CID 144590407
cyclohepta[a]naphthalene
CID 143335474
(13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene
CID 15619633
14-methylhexacyclo[13.12.0.02,11.05,10.018,27.020,25]heptacosa-1(15),2(11),3,5,7,9,12,18,20,22,24,26-dodecaene
CID 123648221

Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-9H-cyclohepta[a]naphthalene?
The IUPAC name of ethane;9-methyl-9H-cyclohepta[a]naphthalene (CID 143739636) is ethane;9-methyl-9H-cyclohepta[a]naphthalene.
What is the SMILES notation for ethane;9-methyl-9H-cyclohepta[a]naphthalene?
The canonical SMILES for ethane;9-methyl-9H-cyclohepta[a]naphthalene is CC.CC1C=Cc2ccc3ccccc3c2C=C1.
What is the InChIKey of ethane;9-methyl-9H-cyclohepta[a]naphthalene?
The InChIKey is ORHIXESFPCMBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.C2H6/c1-12-6-8-14-10-9-13-4-2-3-5-15(13)16(14)11-7-12;1-2/h2-12H,1H3;1-2H3.
What are the key properties of ethane;9-methyl-9H-cyclohepta[a]naphthalene?
ethane;9-methyl-9H-cyclohepta[a]naphthalene has a molecular weight of 236.36 g/mol, XLogP of 5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-9H-cyclohepta[a]naphthalene is sourced from PubChem (CID 143739636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).