[(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol

C15H24O2 — CID 11536010

IUPAC[(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol
SMILESC=C1CO[C@]2(C[C@H]3CC[C@]2(C)C3(C)C)C1CO
InChIInChI=1S/C15H24O2/c1-10-9-17-15(12(10)8-16)7-11-5-6-14(15,4)13(11,2)3/h11-12,16H,1,5-9H2,2-4H3/t11-,12?,14-,15-/m1/s1
InChIKeyGEWPDXSOWJZTQN-FMCMVYLNSA-N
MW236.35 g/mol
LogP2.77
Rot. Bonds1

About [(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol

[(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol (PubChem CID 11536010) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol
PubChem CID11536010
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol
SMILESC=C1CO[C@]2(C[C@H]3CC[C@]2(C)C3(C)C)C1CO
InChIInChI=1S/C15H24O2/c1-10-9-17-15(12(10)8-16)7-11-5-6-14(15,4)13(11,2)3/h11-12,16H,1,5-9H2,2-4H3/t11-,12?,14-,15-/m1/s1
InChIKeyGEWPDXSOWJZTQN-FMCMVYLNSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R,2'S,4R)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxirane]-2'-yl]methanol
CID 130831289
2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
(1S,2S,4R)-2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 68839967
(1R,2R,3'R,4R)-1,7,7-trimethyl-3'-(prop-2-ynoxymethyl)spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]
CID 11630033
(1S,2R,4R)-1,7,7-trimethyl-2-(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 175436353
1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxetane]-2',4'-dione
CID 88706988
1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol
CID 141237439
(2-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl) 2-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 141422375
1-[(1'R,4'R)-1',5,7',7'-tetramethylspiro[3H-furan-2,2'-bicyclo[2.2.1]heptane]-4-yl]ethanone
CID 11218877
[1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate
CID 163406255
(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 98573353

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol?
The IUPAC name of [(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol (CID 11536010) is [(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol.
What is the SMILES notation for [(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol?
The canonical SMILES for [(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol is C=C1CO[C@]2(C[C@H]3CC[C@]2(C)C3(C)C)C1CO.
What is the InChIKey of [(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol?
The InChIKey is GEWPDXSOWJZTQN-FMCMVYLNSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-9-17-15(12(10)8-16)7-11-5-6-14(15,4)13(11,2)3/h11-12,16H,1,5-9H2,2-4H3/t11-,12?,14-,15-/m1/s1.
What are the key properties of [(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol?
[(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol has a molecular weight of 236.35 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R)-1,7,7-trimethyl-4'-methylidenespiro[bicyclo[2.2.1]heptane-2,2'-oxolane]-3'-yl]methanol is sourced from PubChem (CID 11536010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).