(1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene

C15H20 — CID 162893528

IUPAC(1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene
SMILESCC1=C2C(=C(C)CC[C@H]3[C@H]2C3(C)C)C=C1
InChIInChI=1S/C15H20/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,7,12,14H,6,8H2,1-4H3/t12-,14+/m0/s1
InChIKeyDUHPRWZONNFGFL-GXTWGEPZSA-N
MW200.32 g/mol
LogP4.26
Rot. Bonds

About (1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene

(1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene (PubChem CID 162893528) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is (1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene.

Molecular Properties

Compound Name(1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene
PubChem CID162893528
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name(1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene
SMILESCC1=C2C(=C(C)CC[C@H]3[C@H]2C3(C)C)C=C1
InChIInChI=1S/C15H20/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,7,12,14H,6,8H2,1-4H3/t12-,14+/m0/s1
InChIKeyDUHPRWZONNFGFL-GXTWGEPZSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene with MolForge

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Related Compounds

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CID 12740328
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CID 91749786
(1R,6S)-7,7-dimethylbicyclo[4.1.0]heptan-2-one
CID 100979863
(1aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,7a,7b-hexahydrocyclopropa[e]azulene
CID 91749827
(1R,9E,13S)-6,10,14,14-tetramethyl-3-oxabicyclo[11.1.0]tetradeca-5,9-dien-2-one
CID 42619119
(1aR,3aR,7bS)-1,1,3a,7-tetramethyl-2,3,4,5,6,7b-hexahydro-1aH-cyclopropa[a]naphthalene
CID 162932162
(1R,7S)-8,8-dimethylbicyclo[5.1.0]oct-2-en-4-one
CID 12835791
1,1,2,3,3-pentamethyl-3a,6,7,7a-tetrahydro-2H-indene-4,5-dione
CID 70926475
(1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinoline
CID 150728681
1,1,4,7-tetramethyl-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[h]azulen-7-ol
CID 14038848
3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-diene
CID 67416153
7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-4,5-dione
CID 54030088

Frequently Asked Questions

What is the IUPAC name of (1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene?
The IUPAC name of (1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene (CID 162893528) is (1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene.
What is the SMILES notation for (1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene?
The canonical SMILES for (1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene is CC1=C2C(=C(C)CC[C@H]3[C@H]2C3(C)C)C=C1.
What is the InChIKey of (1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene?
The InChIKey is DUHPRWZONNFGFL-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H20/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,7,12,14H,6,8H2,1-4H3/t12-,14+/m0/s1.
What are the key properties of (1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene?
(1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene has a molecular weight of 200.32 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,7b-tetrahydrocyclopropa[e]azulene is sourced from PubChem (CID 162893528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).