ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene]

C17H28O2 — CID 143399772

IUPACethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene]
SMILESC=CCC1=CC2CCCC3(OCCO3)C2CC1.CC
InChIInChI=1S/C15H22O2.C2H6/c1-2-4-12-6-7-14-13(11-12)5-3-8-15(14)16-9-10-17-15;1-2/h2,11,13-14H,1,3-10H2;1-2H3
InChIKeyHJTIAZZBDOIJIJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.47
Rot. Bonds2

About ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene]

ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene] (PubChem CID 143399772) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene].

Molecular Properties

Compound Nameethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene]
PubChem CID143399772
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Nameethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene]
SMILESC=CCC1=CC2CCCC3(OCCO3)C2CC1.CC
InChIInChI=1S/C15H22O2.C2H6/c1-2-4-12-6-7-14-13(11-12)5-3-8-15(14)16-9-10-17-15;1-2/h2,11,13-14H,1,3-10H2;1-2H3
InChIKeyHJTIAZZBDOIJIJ-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxolane, 2,4-dimethyl-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-
CID 109421
(2'R,4'aR,8'aS)-2',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 76764548
(4bS,8aR,10aR)-10a-ethyl-4b,8,8-trimethylspiro[1,2,3,5,6,8a,9,10-octahydrophenanthrene-7,2'-1,3-dioxolane]
CID 58100916
1,4-Dioxa-dispiro[4.1.5.3]pentadec-8-ene
CID 66936799
7'-(3,5-difluorocyclohexyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 145786235
(4R,4'aR,5R,8'aS)-4,5,6',7'-tetramethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 11043180
(4aR,8aS)-4a,6,7-trimethylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11075427
(4aS)-4a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11435732
[(4aR,8aS)-7-methylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]-4a-yl]methanol
CID 13260714
(4aR,8aS)-4a,7-dimethylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 13260718
(4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 15455778
2-(((1S,4aS,8aR)-5,5,8a-trimethyl-2-methylene-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methyl)-1,3-dioxolane
CID 127054633

Frequently Asked Questions

What is the IUPAC name of ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene]?
The IUPAC name of ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene] (CID 143399772) is ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene].
What is the SMILES notation for ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene]?
The canonical SMILES for ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene] is C=CCC1=CC2CCCC3(OCCO3)C2CC1.CC.
What is the InChIKey of ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene]?
The InChIKey is HJTIAZZBDOIJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2.C2H6/c1-2-4-12-6-7-14-13(11-12)5-3-8-15(14)16-9-10-17-15;1-2/h2,11,13-14H,1,3-10H2;1-2H3.
What are the key properties of ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene]?
ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene] has a molecular weight of 264.41 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene] is sourced from PubChem (CID 143399772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).