(4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

C15H24 — CID 59882806

IUPAC(4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
SMILESC=C(C)[C@@H]1CC=C2CCCC(C)[C@@]2(C)C1
InChIInChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12?,13-,15-/m1/s1
InChIKeyYONHOSLUBQJXPR-JYRZLJSNSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About (4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

(4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene (PubChem CID 59882806) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name(4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
PubChem CID59882806
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
SMILESC=C(C)[C@@H]1CC=C2CCCC(C)[C@@]2(C)C1
InChIInChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12?,13-,15-/m1/s1
InChIKeyYONHOSLUBQJXPR-JYRZLJSNSA-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

Computed Properties (RDKit)

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

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Related Compounds

(4S,4aS,6S)-4a-(fluoromethyl)-4-methyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 102286380
(4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 176717300
(2R,8R,8aS)-4,4,5,6,6,7,7-heptadeuterio-8,8a-dimethyl-2-prop-1-en-2-yl-1,2,3,8-tetrahydronaphthalene
CID 169447739
1-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone
CID 527185
(3E,4aS,5S)-5-hydroxy-4a-methyl-3-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]-5,6,7,8-tetrahydro-4H-naphthalen-2-one
CID 68965556
(3R,4aR,5S)-4a,5-dimethyl-3-prop-2-enyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 11218249
2-(7-acetyloxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid
CID 162860371
(3R,4aS,5R)-4a,5-dimethyl-7-(nitromethyl)-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 46176121
(4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 11052100
ethane-1,2-diol;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 67811623
(4R,4aS)-4,4a-dimethyl-6-(2-methyloxiran-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one;(4R,4aS)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one;methane
CID 158494987
8,8a-dimethyl-2-prop-1-en-2-yl-1,3,4,6,7,8-hexahydronaphthalen-2-ol
CID 162850366

Frequently Asked Questions

What is the IUPAC name of (4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene?
The IUPAC name of (4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene (CID 59882806) is (4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene.
What is the SMILES notation for (4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene?
The canonical SMILES for (4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene is C=C(C)[C@@H]1CC=C2CCCC(C)[C@@]2(C)C1.
What is the InChIKey of (4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene?
The InChIKey is YONHOSLUBQJXPR-JYRZLJSNSA-N. The full InChI is InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12?,13-,15-/m1/s1.
What are the key properties of (4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene?
(4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene 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 (4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene is sourced from PubChem (CID 59882806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).