(1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol

C14H24O — CID 134894978

IUPAC(1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC[C@@]1(O)[C@@H]2CC[C@@H](C2(C)C)C1(C)C
InChIInChI=1S/C14H24O/c1-6-9-14(15)11-8-7-10(12(11,2)3)13(14,4)5/h6,10-11,15H,1,7-9H2,2-5H3/t10-,11+,14+/m0/s1
InChIKeyIYBDUNHVEMRRPS-MISXGVKJSA-N
MW208.34 g/mol
LogP3.39
Rot. Bonds2

About (1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol

(1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol (PubChem CID 134894978) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
PubChem CID134894978
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC[C@@]1(O)[C@@H]2CC[C@@H](C2(C)C)C1(C)C
InChIInChI=1S/C14H24O/c1-6-9-14(15)11-8-7-10(12(11,2)3)13(14,4)5/h6,10-11,15H,1,7-9H2,2-5H3/t10-,11+,14+/m0/s1
InChIKeyIYBDUNHVEMRRPS-MISXGVKJSA-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 (1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[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
Exo-2-methyl-3-methylenebicyclo[2.2.1]heptan-2-ol
CID 67760064
(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
(1R,2S,4S)-2-Methyl-3-methylidenebicyclo[2.2.1]heptan-2-ol
CID 162890626
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

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol (CID 134894978) is (1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol is C=CC[C@@]1(O)[C@@H]2CC[C@@H](C2(C)C)C1(C)C.
What is the InChIKey of (1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is IYBDUNHVEMRRPS-MISXGVKJSA-N. The full InChI is InChI=1S/C14H24O/c1-6-9-14(15)11-8-7-10(12(11,2)3)13(14,4)5/h6,10-11,15H,1,7-9H2,2-5H3/t10-,11+,14+/m0/s1.
What are the key properties of (1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[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 (1R,2R,4S)-3,3,7,7-tetramethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 134894978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).