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

C13H22O — CID 7321879

IUPAC(1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC[C@]1(O)C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C13H22O/c1-5-7-13(14)9-10-6-8-12(13,4)11(10,2)3/h5,10,14H,1,6-9H2,2-4H3/t10-,12-,13-/m0/s1
InChIKeyTYECJGASEJBXAY-DRZSPHRISA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds2

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

(1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol (PubChem CID 7321879) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
PubChem CID7321879
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC[C@]1(O)C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C13H22O/c1-5-7-13(14)9-10-6-8-12(13,4)11(10,2)3/h5,10,14H,1,6-9H2,2-4H3/t10-,12-,13-/m0/s1
InChIKeyTYECJGASEJBXAY-DRZSPHRISA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2S,4S)-1,7,7-trimethyl-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
(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 (1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol (CID 7321879) is (1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol is C=CC[C@]1(O)C[C@@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of (1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is TYECJGASEJBXAY-DRZSPHRISA-N. The full InChI is InChI=1S/C13H22O/c1-5-7-13(14)9-10-6-8-12(13,4)11(10,2)3/h5,10,14H,1,6-9H2,2-4H3/t10-,12-,13-/m0/s1.
What are the key properties of (1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
(1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 194.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-1,7,7-trimethyl-2-prop-2-enylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 7321879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).