1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol

C14H26O — CID 174614678

IUPAC1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol
SMILESCCCC(O)C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H26O/c1-5-6-12(15)11-9-10-7-8-14(11,4)13(10,2)3/h10-12,15H,5-9H2,1-4H3
InChIKeyNBRDFSIYJIJILX-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.61
Rot. Bonds3

About 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol

1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol (PubChem CID 174614678) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol.

Molecular Properties

Compound Name1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol
PubChem CID174614678
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol
SMILESCCCC(O)C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H26O/c1-5-6-12(15)11-9-10-7-8-14(11,4)13(10,2)3/h10-12,15H,5-9H2,1-4H3
InChIKeyNBRDFSIYJIJILX-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

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Related Compounds

2-(diethoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 146004628
ethyl (2S)-3-amino-2-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoate
CID 124853315
(1R)-1-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 127035578
(1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129408851
2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
CID 175145276
2-(1-hydroperoxy-2,2-dimethylbutyl)-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 21133596
N-heptan-4-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683810
2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
CID 22159025
(2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 124853781
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (2S)-2-aminopentanoate
CID 107565787
1,7,7-trimethyl-2-[1-[1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-ynoxy]prop-2-ynyl]bicyclo[2.2.1]heptane
CID 88658712
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537

Frequently Asked Questions

What is the IUPAC name of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol?
The IUPAC name of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol (CID 174614678) is 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol.
What is the SMILES notation for 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol?
The canonical SMILES for 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol is CCCC(O)C1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol?
The InChIKey is NBRDFSIYJIJILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-6-12(15)11-9-10-7-8-14(11,4)13(10,2)3/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol?
1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-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-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-ol is sourced from PubChem (CID 174614678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).