ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane]

C18H26 — CID 143674823

IUPACethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane]
SMILESCC.CC=C1CCCC2(CCc3ccccc32)C1
InChIInChI=1S/C16H20.C2H6/c1-2-13-6-5-10-16(12-13)11-9-14-7-3-4-8-15(14)16;1-2/h2-4,7-8H,5-6,9-12H2,1H3;1-2H3
InChIKeyVVYJYIKVTMYWDT-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.42
Rot. Bonds

About ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane]

ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane] (PubChem CID 143674823) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane].

Molecular Properties

Compound Nameethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane]
PubChem CID143674823
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Nameethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane]
SMILESCC.CC=C1CCCC2(CCc3ccccc32)C1
InChIInChI=1S/C16H20.C2H6/c1-2-13-6-5-10-16(12-13)11-9-14-7-3-4-8-15(14)16;1-2/h2-4,7-8H,5-6,9-12H2,1H3;1-2H3
InChIKeyVVYJYIKVTMYWDT-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1H-naphthalene]
CID 56653224
ethane;methanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339109
ethane;spiro[1,2-dihydroindene-3,3'-azetidine]
CID 155704532
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 86311934
1'-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 143568861
propane;spiro[1,2-dihydroindene-3,4'-piperidine]
CID 91126362
cyclohexanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339125
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456

Frequently Asked Questions

What is the IUPAC name of ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane]?
The IUPAC name of ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane] (CID 143674823) is ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane].
What is the SMILES notation for ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane]?
The canonical SMILES for ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane] is CC.CC=C1CCCC2(CCc3ccccc32)C1.
What is the InChIKey of ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane]?
The InChIKey is VVYJYIKVTMYWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.C2H6/c1-2-13-6-5-10-16(12-13)11-9-14-7-3-4-8-15(14)16;1-2/h2-4,7-8H,5-6,9-12H2,1H3;1-2H3.
What are the key properties of ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane]?
ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane] has a molecular weight of 242.41 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane] is sourced from PubChem (CID 143674823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).