(1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene

C15H26 — CID 15558957

IUPAC(1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
SMILESCC(C)[C@@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2
InChIInChI=1S/C15H26/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-13H,5-9H2,1-4H3/t11-,12-,13+/m0/s1
InChIKeyXURCUMFVQKJMJP-RWMBFGLXSA-N
MW206.37 g/mol
LogP4.81
Rot. Bonds1

About (1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene

(1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene (PubChem CID 15558957) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene.

Molecular Properties

Compound Name(1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
PubChem CID15558957
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
SMILESCC(C)[C@@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2
InChIInChI=1S/C15H26/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-13H,5-9H2,1-4H3/t11-,12-,13+/m0/s1
InChIKeyXURCUMFVQKJMJP-RWMBFGLXSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene?
The IUPAC name of (1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene (CID 15558957) is (1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene.
What is the SMILES notation for (1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene?
The canonical SMILES for (1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene is CC(C)[C@@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2.
What is the InChIKey of (1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene?
The InChIKey is XURCUMFVQKJMJP-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H26/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-13H,5-9H2,1-4H3/t11-,12-,13+/m0/s1.
What are the key properties of (1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene?
(1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene has a molecular weight of 206.37 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,7R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene is sourced from PubChem (CID 15558957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).