(2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene

C16H26O — CID 91747513

IUPAC(2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene
SMILESC=C1C[C@@H](OC)C[C@@]2(C)CC=C(C(C)C)CC12
InChIInChI=1S/C16H26O/c1-11(2)13-6-7-16(4)10-14(17-5)8-12(3)15(16)9-13/h6,11,14-15H,3,7-10H2,1-2,4-5H3/t14-,15?,16-/m1/s1
InChIKeyCUCNDXHFXBGIBA-YTPLPTRZSA-N
MW234.38 g/mol
LogP4.35
Rot. Bonds2

About (2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene

(2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene (PubChem CID 91747513) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene.

Molecular Properties

Compound Name(2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene
PubChem CID91747513
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene
SMILESC=C1C[C@@H](OC)C[C@@]2(C)CC=C(C(C)C)CC12
InChIInChI=1S/C16H26O/c1-11(2)13-6-7-16(4)10-14(17-5)8-12(3)15(16)9-13/h6,11,14-15H,3,7-10H2,1-2,4-5H3/t14-,15?,16-/m1/s1
InChIKeyCUCNDXHFXBGIBA-YTPLPTRZSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene?
The IUPAC name of (2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene (CID 91747513) is (2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene.
What is the SMILES notation for (2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene?
The canonical SMILES for (2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene is C=C1C[C@@H](OC)C[C@@]2(C)CC=C(C(C)C)CC12.
What is the InChIKey of (2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene?
The InChIKey is CUCNDXHFXBGIBA-YTPLPTRZSA-N. The full InChI is InChI=1S/C16H26O/c1-11(2)13-6-7-16(4)10-14(17-5)8-12(3)15(16)9-13/h6,11,14-15H,3,7-10H2,1-2,4-5H3/t14-,15?,16-/m1/s1.
What are the key properties of (2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene?
(2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene has a molecular weight of 234.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8aR)-2-methoxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene is sourced from PubChem (CID 91747513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).