(1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol

C15H24O2 — CID 14890301

IUPAC(1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol
SMILESC=C(C)[C@@H]1CC[C@@]2(CO)[C@H](C1)C(=C)CC[C@@H]2O
InChIInChI=1S/C15H24O2/c1-10(2)12-6-7-15(9-16)13(8-12)11(3)4-5-14(15)17/h12-14,16-17H,1,3-9H2,2H3/t12-,13-,14+,15-/m1/s1
InChIKeyMVJIZRNWTOFQSJ-APIJFGDWSA-N
MW236.35 g/mol
LogP2.67
Rot. Bonds2

About (1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol

(1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol (PubChem CID 14890301) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol
PubChem CID14890301
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol
SMILESC=C(C)[C@@H]1CC[C@@]2(CO)[C@H](C1)C(=C)CC[C@@H]2O
InChIInChI=1S/C15H24O2/c1-10(2)12-6-7-15(9-16)13(8-12)11(3)4-5-14(15)17/h12-14,16-17H,1,3-9H2,2H3/t12-,13-,14+,15-/m1/s1
InChIKeyMVJIZRNWTOFQSJ-APIJFGDWSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol?
The IUPAC name of (1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol (CID 14890301) is (1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol.
What is the SMILES notation for (1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol?
The canonical SMILES for (1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol is C=C(C)[C@@H]1CC[C@@]2(CO)[C@H](C1)C(=C)CC[C@@H]2O.
What is the InChIKey of (1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol?
The InChIKey is MVJIZRNWTOFQSJ-APIJFGDWSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)12-6-7-15(9-16)13(8-12)11(3)4-5-14(15)17/h12-14,16-17H,1,3-9H2,2H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of (1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol?
(1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol has a molecular weight of 236.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4aR,6R,8aS)-8a-(hydroxymethyl)-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol is sourced from PubChem (CID 14890301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).