4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene]

C13H18O2 — CID 143531220

IUPAC4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene]
SMILESCC1=C2CCC3(C=C2CCC1)OCCO3
InChIInChI=1S/C13H18O2/c1-10-3-2-4-11-9-13(6-5-12(10)11)14-7-8-15-13/h9H,2-8H2,1H3
InChIKeyPNXAKJOSJKYIFM-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.95
Rot. Bonds

About 4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene]

4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene] (PubChem CID 143531220) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene].

Molecular Properties

Compound Name4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene]
PubChem CID143531220
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene]
SMILESCC1=C2CCC3(C=C2CCC1)OCCO3
InChIInChI=1S/C13H18O2/c1-10-3-2-4-11-9-13(6-5-12(10)11)14-7-8-15-13/h9H,2-8H2,1H3
InChIKeyPNXAKJOSJKYIFM-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene] with MolForge

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Related Compounds

7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
7-Pent-4-ynyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 85819494
6-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137374
2,2-Diethoxy-4,5,6,7-tetrahydrocyclohepta[b]furan
CID 12847452
(9E)-2,2-diethoxy-5,6,7,8-tetrahydro-4H-cycloocta[b]furan
CID 12847453
(13E)-2,2-diethoxy-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan
CID 134920269
7-Ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)
CID 166436839
Lithium 7-pent-4-ynyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 166442817
1-Acetylcyclohexene ethyleneacetal
CID 10678693
7,9,9-Trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene
CID 10775415
(8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10846054
(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran
CID 11162206

Frequently Asked Questions

What is the IUPAC name of 4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene]?
The IUPAC name of 4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene] (CID 143531220) is 4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene].
What is the SMILES notation for 4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene]?
The canonical SMILES for 4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene] is CC1=C2CCC3(C=C2CCC1)OCCO3.
What is the InChIKey of 4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene]?
The InChIKey is PNXAKJOSJKYIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-3-2-4-11-9-13(6-5-12(10)11)14-7-8-15-13/h9H,2-8H2,1H3.
What are the key properties of 4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene]?
4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene] has a molecular weight of 206.28 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methylspiro[1,3-dioxolane-2,7'-2,3,5,6-tetrahydro-1H-naphthalene] is sourced from PubChem (CID 143531220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).