2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol

C14H22O — CID 70887557

IUPAC2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol
SMILESCC(C)(O)C1C=C2C=CCC[C@@]2(C)CC1
InChIInChI=1S/C14H22O/c1-13(2,15)11-7-9-14(3)8-5-4-6-12(14)10-11/h4,6,10-11,15H,5,7-9H2,1-3H3/t11?,14-/m0/s1
InChIKeyMPRRMPXSJPCOBE-IAXJKZSUSA-N
MW206.33 g/mol
LogP3.45
Rot. Bonds1

About 2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol

2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol (PubChem CID 70887557) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol
PubChem CID70887557
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol
SMILESCC(C)(O)C1C=C2C=CCC[C@@]2(C)CC1
InChIInChI=1S/C14H22O/c1-13(2,15)11-7-9-14(3)8-5-4-6-12(14)10-11/h4,6,10-11,15H,5,7-9H2,1-3H3/t11?,14-/m0/s1
InChIKeyMPRRMPXSJPCOBE-IAXJKZSUSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol?
The IUPAC name of 2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol (CID 70887557) is 2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol?
The canonical SMILES for 2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol is CC(C)(O)C1C=C2C=CCC[C@@]2(C)CC1.
What is the InChIKey of 2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol?
The InChIKey is MPRRMPXSJPCOBE-IAXJKZSUSA-N. The full InChI is InChI=1S/C14H22O/c1-13(2,15)11-7-9-14(3)8-5-4-6-12(14)10-11/h4,6,10-11,15H,5,7-9H2,1-3H3/t11?,14-/m0/s1.
What are the key properties of 2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol?
2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol is sourced from PubChem (CID 70887557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).