2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol

C15H24O — CID 59059820

IUPAC2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol
SMILESC=C1CC[C@@H](C(C)(C)O)CC2=C1CCC2C
InChIInChI=1S/C15H24O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h11-12,16H,1,5-9H2,2-4H3/t11?,12-/m1/s1
InChIKeyBVWDSPGOKLQJLI-PIJUOVFKSA-N
MW220.36 g/mol
LogP3.84
Rot. Bonds1

About 2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol

2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol (PubChem CID 59059820) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol
PubChem CID59059820
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol
SMILESC=C1CC[C@@H](C(C)(C)O)CC2=C1CCC2C
InChIInChI=1S/C15H24O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h11-12,16H,1,5-9H2,2-4H3/t11?,12-/m1/s1
InChIKeyBVWDSPGOKLQJLI-PIJUOVFKSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol?
The IUPAC name of 2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol (CID 59059820) is 2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol.
What is the SMILES notation for 2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol?
The canonical SMILES for 2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol is C=C1CC[C@@H](C(C)(C)O)CC2=C1CCC2C.
What is the InChIKey of 2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol?
The InChIKey is BVWDSPGOKLQJLI-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h11-12,16H,1,5-9H2,2-4H3/t11?,12-/m1/s1.
What are the key properties of 2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol?
2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-azulen-5-yl]propan-2-ol is sourced from PubChem (CID 59059820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).