2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C14H24O — CID 134964190

IUPAC2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=C[C@@H](C)C1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H24O/c1-6-10(2)14(15)9-11-7-8-13(14,5)12(11,3)4/h6,10-11,15H,1,7-9H2,2-5H3/t10-,11?,13?,14?/m1/s1
InChIKeyYDAIKVTVMRNDBG-AZAQEYEISA-N
MW208.34 g/mol
LogP3.39
Rot. Bonds2

About 2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 134964190) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID134964190
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=C[C@@H](C)C1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H24O/c1-6-10(2)14(15)9-11-7-8-13(14,5)12(11,3)4/h6,10-11,15H,1,7-9H2,2-5H3/t10-,11?,13?,14?/m1/s1
InChIKeyYDAIKVTVMRNDBG-AZAQEYEISA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

Camphenol, 6-
CID 526611
2,3-Dimethyl-3-(4-methyl-3-pentenyl)-2-norbornanol
CID 6429259
6,6-Dimethyl-5-methylidenebicyclo[2.2.1]heptan-2-ol
CID 85185505
4,7-Methano-1H-inden-5-ol, octahydro-5-(2-propen-1-yl)-
CID 108464
(1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol
CID 10082297
6-Camphenol
CID 180537
Bicyclo[2.2.1]heptan-2-ol, 2-allyl-1,7,7-trimethyl-
CID 4918971
Vinylborneol
CID 14811557
(1R,2R,4R)-1,7,7-Trimethyl-2-(2-propen-1-yl)bicyclo(2.2.1)heptan-2-ol
CID 1506016
2,2-Dimethyl-3-methylidenebicyclo[2.2.1]heptan-1-ol
CID 13096479
2-Prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 13450274
2,3-Bis(ethenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 22967276

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 134964190) is 2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is C=C[C@@H](C)C1(O)CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is YDAIKVTVMRNDBG-AZAQEYEISA-N. The full InChI is InChI=1S/C14H24O/c1-6-10(2)14(15)9-11-7-8-13(14,5)12(11,3)4/h6,10-11,15H,1,7-9H2,2-5H3/t10-,11?,13?,14?/m1/s1.
What are the key properties of 2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 134964190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).