[(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol

C14H24O2 — CID 145069496

IUPAC[(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol
SMILESC=C1CC[C@H]2C(CCC[C@@]2(C)COCO)C1
InChIInChI=1S/C14H24O2/c1-11-5-6-13-12(8-11)4-3-7-14(13,2)9-16-10-15/h12-13,15H,1,3-10H2,2H3/t12?,13-,14-/m0/s1
InChIKeyCFSXNHNQGCZJTJ-TTZKSVMKSA-N
MW224.34 g/mol
LogP3.12
Rot. Bonds3

About [(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol

[(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol (PubChem CID 145069496) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol.

Molecular Properties

Compound Name[(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol
PubChem CID145069496
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol
SMILESC=C1CC[C@H]2C(CCC[C@@]2(C)COCO)C1
InChIInChI=1S/C14H24O2/c1-11-5-6-13-12(8-11)4-3-7-14(13,2)9-16-10-15/h12-13,15H,1,3-10H2,2H3/t12?,13-,14-/m0/s1
InChIKeyCFSXNHNQGCZJTJ-TTZKSVMKSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol?
The IUPAC name of [(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol (CID 145069496) is [(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol.
What is the SMILES notation for [(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol?
The canonical SMILES for [(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol is C=C1CC[C@H]2C(CCC[C@@]2(C)COCO)C1.
What is the InChIKey of [(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol?
The InChIKey is CFSXNHNQGCZJTJ-TTZKSVMKSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-5-6-13-12(8-11)4-3-7-14(13,2)9-16-10-15/h12-13,15H,1,3-10H2,2H3/t12?,13-,14-/m0/s1.
What are the key properties of [(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol?
[(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol has a molecular weight of 224.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8aS)-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]methoxymethanol is sourced from PubChem (CID 145069496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).