1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol

C15H26O — CID 139596512

IUPAC1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol
SMILESCC1CC2CC(C)(O)CC2C2C(C1)C2(C)C
InChIInChI=1S/C15H26O/c1-9-5-10-7-15(4,16)8-11(10)13-12(6-9)14(13,2)3/h9-13,16H,5-8H2,1-4H3
InChIKeyOXFHFFFSDUNQDV-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.47
Rot. Bonds

About 1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol

1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol (PubChem CID 139596512) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol.

Molecular Properties

Compound Name1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol
PubChem CID139596512
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol
SMILESCC1CC2CC(C)(O)CC2C2C(C1)C2(C)C
InChIInChI=1S/C15H26O/c1-9-5-10-7-15(4,16)8-11(10)13-12(6-9)14(13,2)3/h9-13,16H,5-8H2,1-4H3
InChIKeyOXFHFFFSDUNQDV-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol?
The IUPAC name of 1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol (CID 139596512) is 1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol.
What is the SMILES notation for 1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol?
The canonical SMILES for 1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol is CC1CC2CC(C)(O)CC2C2C(C1)C2(C)C.
What is the InChIKey of 1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol?
The InChIKey is OXFHFFFSDUNQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-9-5-10-7-15(4,16)8-11(10)13-12(6-9)14(13,2)3/h9-13,16H,5-8H2,1-4H3.
What are the key properties of 1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol?
1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol has a molecular weight of 222.37 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol is sourced from PubChem (CID 139596512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).