(1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol

C15H26O2 — CID 162886605

IUPAC(1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=C(C)[C@@H](O)CC[C@]1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2
InChIInChI=1S/C15H26O2/c1-10(2)12(16)6-8-14(3)11-5-7-15(14,4)13(17)9-11/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeyWZPRDXQRYVCWDT-BTFPBAQTSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds4

About (1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol

(1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 162886605) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID162886605
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=C(C)[C@@H](O)CC[C@]1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2
InChIInChI=1S/C15H26O2/c1-10(2)12(16)6-8-14(3)11-5-7-15(14,4)13(17)9-11/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeyWZPRDXQRYVCWDT-BTFPBAQTSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 129433767
(1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 162928874
2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol
CID 54129686
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
17-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 20980836
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
(1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol
CID 11090784
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 162886605) is (1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol is C=C(C)[C@@H](O)CC[C@]1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2.
What is the InChIKey of (1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is WZPRDXQRYVCWDT-BTFPBAQTSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)12(16)6-8-14(3)11-5-7-15(14,4)13(17)9-11/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15+/m0/s1.
What are the key properties of (1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
(1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 162886605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).