(4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]

C18H24 — CID 22294456

IUPAC(4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]
SMILESC[C@H]1CCC2(CCC2)C2CCc3ccccc3C21
InChIInChI=1S/C18H24/c1-13-9-12-18(10-4-11-18)16-8-7-14-5-2-3-6-15(14)17(13)16/h2-3,5-6,13,16-17H,4,7-12H2,1H3/t13-,16?,17?/m0/s1
InChIKeyBBQQCVKNAKIAIT-IGEOTXOUSA-N
MW240.39 g/mol
LogP4.93
Rot. Bonds

About (4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]

(4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane] (PubChem CID 22294456) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is (4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane].

Molecular Properties

Compound Name(4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]
PubChem CID22294456
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name(4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]
SMILESC[C@H]1CCC2(CCC2)C2CCc3ccccc3C21
InChIInChI=1S/C18H24/c1-13-9-12-18(10-4-11-18)16-8-7-14-5-2-3-6-15(14)17(13)16/h2-3,5-6,13,16-17H,4,7-12H2,1H3/t13-,16?,17?/m0/s1
InChIKeyBBQQCVKNAKIAIT-IGEOTXOUSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane] with MolForge

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Related Compounds

(2R)-2-methyl-1-(2,2,3-trimethylcyclopropyl)-1,2,3,4-tetrahydronaphthalene
CID 163627308
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CID 23258696
N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine
CID 83909985
1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene
CID 12621746
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157427807
2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine
CID 83911492
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057978
diphosphanyl-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-phosphanylphosphane
CID 21061778
1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide
CID 141193933
1-(2,3-dihydro-1H-inden-1-yl)-2-methylcyclopropan-1-amine
CID 79333614

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]?
The IUPAC name of (4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane] (CID 22294456) is (4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane].
What is the SMILES notation for (4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]?
The canonical SMILES for (4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane] is C[C@H]1CCC2(CCC2)C2CCc3ccccc3C21.
What is the InChIKey of (4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]?
The InChIKey is BBQQCVKNAKIAIT-IGEOTXOUSA-N. The full InChI is InChI=1S/C18H24/c1-13-9-12-18(10-4-11-18)16-8-7-14-5-2-3-6-15(14)17(13)16/h2-3,5-6,13,16-17H,4,7-12H2,1H3/t13-,16?,17?/m0/s1.
What are the key properties of (4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]?
(4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane] has a molecular weight of 240.39 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane] is sourced from PubChem (CID 22294456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).