[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol

C14H16O — CID 11680020

IUPAC[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol
SMILESC=C1C[C@]2(C)c3ccccc3C[C@]12CO
InChIInChI=1S/C14H16O/c1-10-7-13(2)12-6-4-3-5-11(12)8-14(10,13)9-15/h3-6,15H,1,7-9H2,2H3/t13-,14+/m1/s1
InChIKeyPDURVSWAMAKJOO-KGLIPLIRSA-N
MW200.28 g/mol
LogP2.44
Rot. Bonds1

About [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol

[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol (PubChem CID 11680020) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol.

Molecular Properties

Compound Name[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol
PubChem CID11680020
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol
SMILESC=C1C[C@]2(C)c3ccccc3C[C@]12CO
InChIInChI=1S/C14H16O/c1-10-7-13(2)12-6-4-3-5-11(12)8-14(10,13)9-15/h3-6,15H,1,7-9H2,2H3/t13-,14+/m1/s1
InChIKeyPDURVSWAMAKJOO-KGLIPLIRSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane
CID 25192792
(1S,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]indene-7a-carboxylic acid
CID 11644203
(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol
CID 70383885
7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 10103432
(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one
CID 11666836
3,3-dimethyl-2-methylidene-1H-indene;ethane
CID 143953753
7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 2753008
(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
CID 125469336
(2,2-dimethyl-1-naphthalen-1-ylcyclopropyl)methanol
CID 116842745
(1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine
CID 67388625
(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride
CID 167717873
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172

Frequently Asked Questions

What is the IUPAC name of [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol?
The IUPAC name of [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol (CID 11680020) is [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol.
What is the SMILES notation for [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol?
The canonical SMILES for [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol is C=C1C[C@]2(C)c3ccccc3C[C@]12CO.
What is the InChIKey of [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol?
The InChIKey is PDURVSWAMAKJOO-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H16O/c1-10-7-13(2)12-6-4-3-5-11(12)8-14(10,13)9-15/h3-6,15H,1,7-9H2,2H3/t13-,14+/m1/s1.
What are the key properties of [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol?
[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol has a molecular weight of 200.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol is sourced from PubChem (CID 11680020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).