(1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene

C15H24 — CID 15560288

IUPAC(1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
SMILESC=C(C)[C@@H]1C=C2[C@H](C)CC[C@H]2[C@H](C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9,11-14H,1,5-8H2,2-4H3/t11-,12-,13+,14+/m1/s1
InChIKeyDUYRYUZIBGFLDD-MQYQWHSLSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds1

About (1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene

(1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene (PubChem CID 15560288) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene.

Molecular Properties

Compound Name(1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
PubChem CID15560288
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
SMILESC=C(C)[C@@H]1C=C2[C@H](C)CC[C@H]2[C@H](C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9,11-14H,1,5-8H2,2-4H3/t11-,12-,13+,14+/m1/s1
InChIKeyDUYRYUZIBGFLDD-MQYQWHSLSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R,5R,8R,8aR)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]propane-1,2-diol
CID 71101587
(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene
CID 149455219
3-(6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl)-6-pentylbenzene-1,2-diol
CID 156710447
(1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane
CID 143590752
2-[(1S,4R,4aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl]acetic acid
CID 144540720
(1S,3aR,5S,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydro-1H-azulen-5-ol
CID 24778006
(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene
CID 167459403
3-(hydroxymethyl)-8-methyl-5-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
CID 163014020
2-[(1S,4R,4aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl]acetic acid;ethane
CID 144540719
1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 91552917
(5S,8S,8aS)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,4,5,6,7,8,8a-octahydroazulene
CID 15834756
(3R,3aS,5S,8aR)-3-methyl-8-methylidene-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
CID 102156162

Frequently Asked Questions

What is the IUPAC name of (1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene?
The IUPAC name of (1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene (CID 15560288) is (1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene.
What is the SMILES notation for (1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene?
The canonical SMILES for (1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene is C=C(C)[C@@H]1C=C2[C@H](C)CC[C@H]2[C@H](C)CC1.
What is the InChIKey of (1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene?
The InChIKey is DUYRYUZIBGFLDD-MQYQWHSLSA-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/h9,11-14H,1,5-8H2,2-4H3/t11-,12-,13+,14+/m1/s1.
What are the key properties of (1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene?
(1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene has a molecular weight of 204.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aS,4R,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene is sourced from PubChem (CID 15560288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).