(4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene]

C15H22O2 — CID 135020442

IUPAC(4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene]
SMILESCC=C1C=C2CCCC3(OCCO3)[C@@]2(C)CC1
InChIInChI=1S/C15H22O2/c1-3-12-6-8-14(2)13(11-12)5-4-7-15(14)16-9-10-17-15/h3,11H,4-10H2,1-2H3/t14-/m0/s1
InChIKeyXJHKYICIWRSBOD-AWEZNQCLSA-N
MW234.34 g/mol
LogP3.59
Rot. Bonds

About (4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene]

(4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene] (PubChem CID 135020442) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene].

Molecular Properties

Compound Name(4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene]
PubChem CID135020442
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene]
SMILESCC=C1C=C2CCCC3(OCCO3)[C@@]2(C)CC1
InChIInChI=1S/C15H22O2/c1-3-12-6-8-14(2)13(11-12)5-4-7-15(14)16-9-10-17-15/h3,11H,4-10H2,1-2H3/t14-/m0/s1
InChIKeyXJHKYICIWRSBOD-AWEZNQCLSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene]?
The IUPAC name of (4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene] (CID 135020442) is (4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene].
What is the SMILES notation for (4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene]?
The canonical SMILES for (4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene] is CC=C1C=C2CCCC3(OCCO3)[C@@]2(C)CC1.
What is the InChIKey of (4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene]?
The InChIKey is XJHKYICIWRSBOD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-12-6-8-14(2)13(11-12)5-4-7-15(14)16-9-10-17-15/h3,11H,4-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene]?
(4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene] has a molecular weight of 234.34 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4'aS)-7'-ethylidene-4'a-methylspiro[1,3-dioxolane-2,4'-2,3,5,6-tetrahydro-1H-naphthalene] is sourced from PubChem (CID 135020442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).