(1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane

C16H28 — CID 143590752

IUPAC(1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane
SMILESC.C=C(C)[C@@H]1CCC(C)C2CCC(C)=CC21
InChIInChI=1S/C15H24.CH4/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14;/h9,12-15H,1,5-8H2,2-4H3;1H4/t12?,13-,14?,15?;/m0./s1
InChIKeyHAIMCRCMMVANDI-NTZMQTJGSA-N
MW220.40 g/mol
LogP5.22
Rot. Bonds1

About (1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane

(1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane (PubChem CID 143590752) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is (1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane.

Molecular Properties

Compound Name(1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane
PubChem CID143590752
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name(1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane
SMILESC.C=C(C)[C@@H]1CCC(C)C2CCC(C)=CC21
InChIInChI=1S/C15H24.CH4/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14;/h9,12-15H,1,5-8H2,2-4H3;1H4/t12?,13-,14?,15?;/m0./s1
InChIKeyHAIMCRCMMVANDI-NTZMQTJGSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.22
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

(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene
CID 167459403
2-[(1R,4R,4aS,8aR)-4-methyl-7-(trideuterio(113C)methyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid
CID 102515930
2-[(1R,4R)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid
CID 44633377
3-(hydroxymethyl)-8-methyl-5-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
CID 163014020
(1S,4R,4aS,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 163063171
2-[(4R,4aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-2-methyloxirane
CID 89167305
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propane-1,2-diol;ethane
CID 143340528
2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-[(6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-4-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3,5-triol
CID 155605936
1-methyl-3-propan-2-yl-4-prop-1-en-2-ylcyclohexene
CID 164823241
(1R,4S,4aR,8aR)-4-[(2S)-1-hydroxypropan-2-yl]-6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1-carboxylic acid
CID 139590235
5-chloro-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 134237519
2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)acetaldehyde
CID 146512478

Frequently Asked Questions

What is the IUPAC name of (1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane?
The IUPAC name of (1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane (CID 143590752) is (1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane.
What is the SMILES notation for (1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane?
The canonical SMILES for (1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane is C.C=C(C)[C@@H]1CCC(C)C2CCC(C)=CC21.
What is the InChIKey of (1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane?
The InChIKey is HAIMCRCMMVANDI-NTZMQTJGSA-N. The full InChI is InChI=1S/C15H24.CH4/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14;/h9,12-15H,1,5-8H2,2-4H3;1H4/t12?,13-,14?,15?;/m0./s1.
What are the key properties of (1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane?
(1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane has a molecular weight of 220.40 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane is sourced from PubChem (CID 143590752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).