(1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene

C15H24 — CID 15560255

IUPAC(1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene
SMILESCC(C)C1=CC2=C(CC[C@@H]2C)[C@@H](C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-12H,5-8H2,1-4H3/t11-,12-/m0/s1
InChIKeyYLPOFTFBOIPYLE-RYUDHWBXSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

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

(1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene (PubChem CID 15560255) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene.

Molecular Properties

Compound Name(1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene
PubChem CID15560255
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene
SMILESCC(C)C1=CC2=C(CC[C@@H]2C)[C@@H](C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-12H,5-8H2,1-4H3/t11-,12-/m0/s1
InChIKeyYLPOFTFBOIPYLE-RYUDHWBXSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene?
The IUPAC name of (1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene (CID 15560255) is (1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene.
What is the SMILES notation for (1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene?
The canonical SMILES for (1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene is CC(C)C1=CC2=C(CC[C@@H]2C)[C@@H](C)CC1.
What is the InChIKey of (1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene?
The InChIKey is YLPOFTFBOIPYLE-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-12H,5-8H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene?
(1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene is sourced from PubChem (CID 15560255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).