8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol

C19H34O — CID 18413318

IUPAC8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol
SMILESCC(C)C(O)(CCCCCC1CC2C=CC1C2)C(C)C
InChIInChI=1S/C19H34O/c1-14(2)19(20,15(3)4)11-7-5-6-8-17-12-16-9-10-18(17)13-16/h9-10,14-18,20H,5-8,11-13H2,1-4H3
InChIKeyTVMBUUNETDKHLP-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.19
Rot. Bonds8

About 8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol

8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol (PubChem CID 18413318) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol.

Molecular Properties

Compound Name8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol
PubChem CID18413318
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol
SMILESCC(C)C(O)(CCCCCC1CC2C=CC1C2)C(C)C
InChIInChI=1S/C19H34O/c1-14(2)19(20,15(3)4)11-7-5-6-8-17-12-16-9-10-18(17)13-16/h9-10,14-18,20H,5-8,11-13H2,1-4H3
InChIKeyTVMBUUNETDKHLP-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(6,6,6-trifluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 135202055
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270
(1S,4S,5S)-5-hexylbicyclo[2.2.1]hept-2-ene
CID 97304116
[11-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichloroundecyl]silane
CID 173198534
10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one
CID 59748068
5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate
CID 140796846
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium
CID 166862872

Frequently Asked Questions

What is the IUPAC name of 8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol?
The IUPAC name of 8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol (CID 18413318) is 8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol.
What is the SMILES notation for 8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol?
The canonical SMILES for 8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol is CC(C)C(O)(CCCCCC1CC2C=CC1C2)C(C)C.
What is the InChIKey of 8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol?
The InChIKey is TVMBUUNETDKHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-14(2)19(20,15(3)4)11-7-5-6-8-17-12-16-9-10-18(17)13-16/h9-10,14-18,20H,5-8,11-13H2,1-4H3.
What are the key properties of 8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol?
8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol has a molecular weight of 278.48 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol is sourced from PubChem (CID 18413318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).