1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol

C14H26O — CID 79558057

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CC1CC2CCC1C2
InChIInChI=1S/C14H26O/c1-14(2,3)9-13(15)8-12-7-10-4-5-11(12)6-10/h10-13,15H,4-9H2,1-3H3
InChIKeySRFGTZKNEONRSI-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.61
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol (PubChem CID 79558057) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
PubChem CID79558057
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CC1CC2CCC1C2
InChIInChI=1S/C14H26O/c1-14(2,3)9-13(15)8-12-7-10-4-5-11(12)6-10/h10-13,15H,4-9H2,1-3H3
InChIKeySRFGTZKNEONRSI-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
1-(2-bicyclo[2.2.1]heptanyl)hex-4-yn-2-ol
CID 115779959
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79558432
1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
CID 79550906
1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol
CID 79558762
1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79558433
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713452
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid
CID 83139469
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol
CID 79558650

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol (CID 79558057) is 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol?
The InChIKey is SRFGTZKNEONRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-14(2,3)9-13(15)8-12-7-10-4-5-11(12)6-10/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol has a molecular weight of 210.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 79558057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).