8-propyltricyclo[5.2.1.02,6]decan-8-ol

C13H22O — CID 13386823

IUPAC8-propyltricyclo[5.2.1.02,6]decan-8-ol
SMILESCCCC1(O)CC2CC1C1CCCC21
InChIInChI=1S/C13H22O/c1-2-6-13(14)8-9-7-12(13)11-5-3-4-10(9)11/h9-12,14H,2-8H2,1H3
InChIKeySUPCPOCNYOSWNW-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.97
Rot. Bonds2

About 8-propyltricyclo[5.2.1.02,6]decan-8-ol

8-propyltricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 13386823) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 8-propyltricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-propyltricyclo[5.2.1.02,6]decan-8-ol
PubChem CID13386823
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name8-propyltricyclo[5.2.1.02,6]decan-8-ol
SMILESCCCC1(O)CC2CC1C1CCCC21
InChIInChI=1S/C13H22O/c1-2-6-13(14)8-9-7-12(13)11-5-3-4-10(9)11/h9-12,14H,2-8H2,1H3
InChIKeySUPCPOCNYOSWNW-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-ethyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386822
8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol
CID 63222407
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 60799197
8-[(3-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 65147340
8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 64784443
8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol
CID 79128848
8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
CID 54499262
8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 104801466
3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane]
CID 163947971
8-(4-chloro-1-ethylpyrazol-5-yl)tricyclo[5.2.1.02,6]decan-8-ol
CID 114633223
9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane
CID 91591704

Frequently Asked Questions

What is the IUPAC name of 8-propyltricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-propyltricyclo[5.2.1.02,6]decan-8-ol (CID 13386823) is 8-propyltricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-propyltricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-propyltricyclo[5.2.1.02,6]decan-8-ol is CCCC1(O)CC2CC1C1CCCC21.
What is the InChIKey of 8-propyltricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is SUPCPOCNYOSWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-6-13(14)8-9-7-12(13)11-5-3-4-10(9)11/h9-12,14H,2-8H2,1H3.
What are the key properties of 8-propyltricyclo[5.2.1.02,6]decan-8-ol?
8-propyltricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 194.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyltricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 13386823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).