4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol

C12H18O — CID 130126509

IUPAC4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol
SMILESOCC1CCC2=C(C1)C1CCC2C1
InChIInChI=1S/C12H18O/c13-7-8-1-4-11-9-2-3-10(6-9)12(11)5-8/h8-10,13H,1-7H2
InChIKeyHNUQWBSSSODPKV-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.51
Rot. Bonds1

About 4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol

4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol (PubChem CID 130126509) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol.

Molecular Properties

Compound Name4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol
PubChem CID130126509
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol
SMILESOCC1CCC2=C(C1)C1CCC2C1
InChIInChI=1S/C12H18O/c13-7-8-1-4-11-9-2-3-10(6-9)12(11)5-8/h8-10,13H,1-7H2
InChIKeyHNUQWBSSSODPKV-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3aS)-3,3,4,4,7-pentamethyl-2,3a,5,6-tetrahydro-1H-inden-2-yl]methanol
CID 135040744
[(2S,3aR,7aS)-3,3,4,5,7a-pentamethyl-2,3a,6,7-tetrahydro-1H-inden-2-yl]methanol
CID 163030583
[(2S,5R,7aS)-3,3,4,5,7a-pentamethyl-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol
CID 163096694
Bicyclo[2.2.1]hept-2-ene-2,3-dimethanol
CID 53673043
2-(3-Methyl-bicyclo[2.2.1]hept-2-en-2-yl)-ethanol
CID 66757195
3-(2-Bicyclo[2.2.1]hept-2-enyl)propan-1-ol
CID 67224932
[(3aS,7aS)-3,3,4,5,7a-pentamethyl-2,3a,6,7-tetrahydro-1H-inden-2-yl]methanol
CID 135021890
1,2,3,4,5,6,7,8-Octahydro-1,4-methanonaphthalen-6-ol
CID 288660
[(1S,4R)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol
CID 10887982
[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methanol
CID 15727435
[3-(Hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 21437385
(3-Methyl-2-bicyclo[2.2.1]hept-2-enyl)methanol
CID 21675252

Frequently Asked Questions

What is the IUPAC name of 4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol?
The IUPAC name of 4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol (CID 130126509) is 4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol.
What is the SMILES notation for 4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol?
The canonical SMILES for 4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol is OCC1CCC2=C(C1)C1CCC2C1.
What is the InChIKey of 4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol?
The InChIKey is HNUQWBSSSODPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c13-7-8-1-4-11-9-2-3-10(6-9)12(11)5-8/h8-10,13H,1-7H2.
What are the key properties of 4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol?
4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol has a molecular weight of 178.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tricyclo[6.2.1.02,7]undec-2(7)-enylmethanol is sourced from PubChem (CID 130126509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).