1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol

C23H40O — CID 21332842

IUPAC1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
SMILESCC1(C)C2CCC(C2)C1CCC(O)CCC1C2CCC(C2)C1(C)C
InChIInChI=1S/C23H40O/c1-22(2)17-7-5-15(13-17)20(22)11-9-19(24)10-12-21-16-6-8-18(14-16)23(21,3)4/h15-21,24H,5-14H2,1-4H3
InChIKeyQITQPGGYTQMNJT-UHFFFAOYSA-N
MW332.57 g/mol
LogP6.05
Rot. Bonds6

About 1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol

1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol (PubChem CID 21332842) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol.

Molecular Properties

Compound Name1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
PubChem CID21332842
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
SMILESCC1(C)C2CCC(C2)C1CCC(O)CCC1C2CCC(C2)C1(C)C
InChIInChI=1S/C23H40O/c1-22(2)17-7-5-15(13-17)20(22)11-9-19(24)10-12-21-16-6-8-18(14-16)23(21,3)4/h15-21,24H,5-14H2,1-4H3
InChIKeyQITQPGGYTQMNJT-UHFFFAOYSA-N
XLogP6.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
CID 71319236
2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol
CID 102267718
3-(2-chloroethyl)-2,2-dimethylbicyclo[2.2.1]heptane
CID 50741626
3-[(1R,2S,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
CID 14779202
3-[1-chloro-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentyl]-2,2-dimethylbicyclo[2.2.1]heptane
CID 173445748
2-[2-[1,7-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)heptan-4-ylamino]ethylamino]propane-1,3-diol
CID 21390620
3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane
CID 54247080
(1S,3S,4R)-2,2-dimethyl-3-(2-propoxyethyl)bicyclo[2.2.1]heptane
CID 95241864
(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268
N'-[2-[3-[1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ylamino]propylamino]ethyl]propane-1,3-diamine;hydrochloride
CID 90674817
4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-ethylbut-2-en-1-ol
CID 53426218
(E)-5-[(1S,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]pent-3-en-2-one
CID 19181326

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol?
The IUPAC name of 1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol (CID 21332842) is 1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol.
What is the SMILES notation for 1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol?
The canonical SMILES for 1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol is CC1(C)C2CCC(C2)C1CCC(O)CCC1C2CCC(C2)C1(C)C.
What is the InChIKey of 1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol?
The InChIKey is QITQPGGYTQMNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-22(2)17-7-5-15(13-17)20(22)11-9-19(24)10-12-21-16-6-8-18(14-16)23(21,3)4/h15-21,24H,5-14H2,1-4H3.
What are the key properties of 1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol?
1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol has a molecular weight of 332.57 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol is sourced from PubChem (CID 21332842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).