5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol

C15H26O — CID 14345658

IUPAC5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol
SMILESCC(CO)CCCC1(C)C2CC3C(C2)C31C
InChIInChI=1S/C15H26O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h10-13,16H,4-9H2,1-3H3
InChIKeyIVNJCMGUVXCJNU-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.47
Rot. Bonds5

About 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol

5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol (PubChem CID 14345658) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol
PubChem CID14345658
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol
SMILESCC(CO)CCCC1(C)C2CC3C(C2)C31C
InChIInChI=1S/C15H26O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h10-13,16H,4-9H2,1-3H3
InChIKeyIVNJCMGUVXCJNU-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane
CID 57227275
3-[(1S,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]propanal
CID 23228573
(2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane
CID 97289307
3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane
CID 15433328
(E)-5-[(3S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
CID 175773701
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
[(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol
CID 67159508
2-methylhexan-1-ol
CID 159157237
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol?
The IUPAC name of 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol (CID 14345658) is 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol?
The canonical SMILES for 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol is CC(CO)CCCC1(C)C2CC3C(C2)C31C.
What is the InChIKey of 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol?
The InChIKey is IVNJCMGUVXCJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h10-13,16H,4-9H2,1-3H3.
What are the key properties of 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol?
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol is sourced from PubChem (CID 14345658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).