3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol

C17H24O — CID 54120103

IUPAC3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(C=CCO)ccc21
InChIInChI=1S/C17H24O/c1-16(2)9-10-17(3,4)15-12-13(6-5-11-18)7-8-14(15)16/h5-8,12,18H,9-11H2,1-4H3
InChIKeyNNBMKGNMSYUJSJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.04
Rot. Bonds2

About 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol

3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol (PubChem CID 54120103) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol
PubChem CID54120103
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(C=CCO)ccc21
InChIInChI=1S/C17H24O/c1-16(2)9-10-17(3,4)15-12-13(6-5-11-18)7-8-14(15)16/h5-8,12,18H,9-11H2,1-4H3
InChIKeyNNBMKGNMSYUJSJ-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol?
The IUPAC name of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol (CID 54120103) is 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol is CC1(C)CCC(C)(C)c2cc(C=CCO)ccc21.
What is the InChIKey of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol?
The InChIKey is NNBMKGNMSYUJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-16(2)9-10-17(3,4)15-12-13(6-5-11-18)7-8-14(15)16/h5-8,12,18H,9-11H2,1-4H3.
What are the key properties of 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol?
3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 54120103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).