9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol

C13H20O — CID 58312204

IUPAC9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
SMILESCC1CC2CC1C1C3CC(O)C(C3)C21
InChIInChI=1S/C13H20O/c1-6-2-7-3-9(6)12-8-4-10(13(7)12)11(14)5-8/h6-14H,2-5H2,1H3
InChIKeyIFXFTJMDLNIEGX-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.30
Rot. Bonds

About 9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol

9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol (PubChem CID 58312204) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol.

Molecular Properties

Compound Name9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
PubChem CID58312204
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
SMILESCC1CC2CC1C1C3CC(O)C(C3)C21
InChIInChI=1S/C13H20O/c1-6-2-7-3-9(6)12-8-4-10(13(7)12)11(14)5-8/h6-14H,2-5H2,1H3
InChIKeyIFXFTJMDLNIEGX-UHFFFAOYSA-N
XLogP2.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 130857696
4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 123907969
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxamide
CID 71205240
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane;4,11-dimethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane;4,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 159041892
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 58944334
(1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol
CID 23268682
5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol
CID 89051022
4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 22898213
tricyclo[5.2.1.02,6]decane-3,4,9-triol
CID 13191206
3-ethyl-5,8-dimethyltricyclo[5.2.1.02,6]decane
CID 59392103
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812

Frequently Asked Questions

What is the IUPAC name of 9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The IUPAC name of 9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol (CID 58312204) is 9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol.
What is the SMILES notation for 9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The canonical SMILES for 9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol is CC1CC2CC1C1C3CC(O)C(C3)C21.
What is the InChIKey of 9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The InChIKey is IFXFTJMDLNIEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-6-2-7-3-9(6)12-8-4-10(13(7)12)11(14)5-8/h6-14H,2-5H2,1H3.
What are the key properties of 9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol has a molecular weight of 192.30 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol is sourced from PubChem (CID 58312204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).